(2-Cyclohex-1-EN-1-ylethyl)(4-methylbenzyl)amine

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Basic information

CAS: 356530-85-3
Standard SMILES: Cc1ccc(CNCCC2=CCCCC2)cc1
InChIKey: YKKABOKSWPNSMV-UHFFFAOYSA-N
Molecular formula: C16H23N
Average molar mass: 229.36 g/mol
Monoisotopic mass: 229.18304974

Names & identifiers

Preferred name: (2-Cyclohex-1-EN-1-ylethyl)(4-methylbenzyl)amine
IUPAC: 2-(cyclohexen-1-yl)-N-[(4-methylphenyl)methyl]ethanamine
English name: CHEMBRDG-BB 6587154
Molecular formula: C16H23N
Molecular weight: 229.36

Names & synonyms

356530-85-3(2-CYCLOHEX-1-EN-1-YLETHYL)(4-METHYLBENZYL)AMINE2-(cyclohexen-1-yl)-N-[(4-methylphenyl)methyl]ethanamineAN-329/15537082ZINC21323742-(cyclohexen-1-yl)-N-(p-tolylmethyl)ethanamineN-[2-(1-cyclohexen-1-yl)ethyl]-N-(4-methylbenzyl)amineCHEMBL1625437SCHEMBL23004911DTXSID20365148MFCD03210673STK122240

Show more names

CHEMBRDG-BB 6587154UKRORGSYN-BB BBR-061706Benzenemethanamine, N-[2-(1-cyclohexen-1-yl)ethyl]-4-methyl-(2-cyclohex-1-en-1-ylethyl)(4-methylbenzyl)amine(SALTDATA: HCl)

AKOS002623353CC1=CC=C(C=C1)CNCCC2=CCCCC2ZINC000002132374DB-200110(2CYCLOHEX1EN1YLETHYL)(4METHYLBENZYL)AMINE2(CYCLOHEX1EN1YL)N(4METHYLBENZYL)ETHANAMINE2-(cyclohex-1-en-1-yl)-N-(4-methylbenzyl)ethanamineN(2(1CYCLOHEXEN1YL)ETHYL)N(4METHYLBENZYL)AMINE

Database identifiers

CAS: 356530-85-3
PubChem CID: 1787833
DTXSID: DTXSID20365148
ChEMBL: CHEMBL1625437

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 236

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Compound notes

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