(4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine

HCID 11645410

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Basic information

Standard SMILES: NCC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIKey: JIGYQYPDFHZOAO-UHFFFAOYSA-N
Molecular formula: C19H30N2O2
Average molar mass: 318.5 g/mol

Names & identifiers

Preferred name: (4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine
IUPAC: [4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine

Names & synonyms

(4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine{4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamineSCHEMBL3271972JIGYQYPDFHZOAO-UHFFFAOYSA-N

Database identifiers

PubChem CID: 11645410

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 47.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 330

Related reactions

40 records

New reaction record

HRID 100210As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 105026As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 162379As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183642As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 194652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 205610As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 272880As reactantuspto-grants-2008_11

HRID 272882As reactantuspto-grants-2008_11

Linked notes

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