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2-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamine

HCID 59401830
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(N2CCC(N3CCCC3C)C2)ccc1N
InChIKey
RAICQPFLQTZKOQ-UHFFFAOYSA-N
Molecular formula
C16H25N3
Average molar mass
259.39 g/mol

Names & identifiers

Preferred name
2-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamine
IUPAC
2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]aniline

Names & synonyms

SCHEMBL220716RAICQPFLQTZKOQ-UHFFFAOYSA-N2-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamine

Database identifiers

PubChem CID
59401830

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
32.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
306

Related reactions

104 records
New reaction record
HRID 85814 reaction equation
HRID 85814As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 109631 reaction equation
HRID 109631As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 124889 reaction equation
HRID 124889As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 145919 reaction equation
HRID 145919As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 161522 reaction equation
HRID 161522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 162859 reaction equation
HRID 162859As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 170650 reaction equation
HRID 170650As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 172316 reaction equation
HRID 172316As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
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Compound notes

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