7-Phenylheptan-1-amine

HCID 6431990

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: NCCCCCCCc1ccccc1
InChIKey: JFFFKDHHNGBVFT-UHFFFAOYSA-N
Molecular formula: C13H21N
Average molar mass: 191.31 g/mol

Names & identifiers

Preferred name: 7-Phenylheptan-1-amine
IUPAC: 7-phenylheptan-1-amine

Names & synonyms

7-phenylheptan-1-amine17734-22-4MFCD099235297-phenylheptylamine7-Phenyl-1-heptanaminephenylheptylamine7-phenylheptyl amine7-Phenyl-heptylamineSCHEMBL169336SCHEMBL3584588SCHEMBL3593381SCHEMBL8668115

Show more names

JFFFKDHHNGBVFT-UHFFFAOYSA-NSAA73422AKOS006311861SY401985EN300-7460396

Database identifiers

PubChem CID: 6431990
Nikkaji: J1.538.349F

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 116

Related reactions

13 records

New reaction record

HRID 324091As reactantuspto-grants-2001_04

HRID 672179As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 953619As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1233522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1281413As reactantuspto-grants-2002_09

HRID 1743464As reactantuspto-grants-2006_03

HRID 1884716As reactantuspto-grants-2004_07

HRID 2097329As reactantuspto-grants-2013_05

Compound notes

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