[(4-Dimethylaminophenyl)methyl](4-ethylphenyl)amine (HCID 3482181)

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Basic information

Standard SMILES: CCc1ccc(NCc2ccc(N(C)C)cc2)cc1
InChIKey: ZNRLKNYMQBKVMF-UHFFFAOYSA-N
Molecular formula: C17H22N2
Average molar mass: 254.37 g/mol

Names & identifiers

Preferred name: [(4-Dimethylaminophenyl)methyl](4-ethylphenyl)amine
IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-4-ethylaniline

Names & synonyms

SCHEMBL855663ZNRLKNYMQBKVMF-UHFFFAOYSA-NAKOS000238399ST50446677[(4-dimethylaminophenyl)methyl](4-ethylphenyl)amineN-[[4-(dimethylamino)phenyl]methyl]-4-ethylaniline4-(DIMETHYLAMINO)-N-(4-ETHYLPHENYL)BENZYLAMINE

Database identifiers

PubChem CID: 3482181

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 236

Related reactions

10 records

New reaction record

HRID 87881As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125334As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 218558As reactantuspto-grants-2012_06

HRID 218559As reactantuspto-grants-2012_06

HRID 676410As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 838622As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2213585As productuspto-grants-2006_09

HRID 2213624As reactantuspto-grants-2006_09

Compound notes

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