N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride

C23H32ClNO — CID 67118786

IUPACN-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(CCCNC(c2ccccc2)C2CCCCC2)cc1.Cl
InChIInChI=1S/C23H31NO.ClH/c1-25-22-16-14-19(15-17-22)9-8-18-24-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2,4-5,10-11,14-17,21,23-24H,3,6-9,12-13,18H2,1H3;1H
InChIKeyLERDKLMCONATMZ-UHFFFAOYSA-N
MW373.97 g/mol
LogP5.96
Rot. Bonds8

About N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride

N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 67118786) has the molecular formula C23H32ClNO and a molecular weight of 373.97 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID67118786
Molecular FormulaC23H32ClNO
Molecular Weight373.97 g/mol
Exact Mass373.22
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(CCCNC(c2ccccc2)C2CCCCC2)cc1.Cl
InChIInChI=1S/C23H31NO.ClH/c1-25-22-16-14-19(15-17-22)9-8-18-24-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2,4-5,10-11,14-17,21,23-24H,3,6-9,12-13,18H2,1H3;1H
InChIKeyLERDKLMCONATMZ-UHFFFAOYSA-N
XLogP5.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride (CID 67118786) is N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride is COc1ccc(CCCNC(c2ccccc2)C2CCCCC2)cc1.Cl.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is LERDKLMCONATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO.ClH/c1-25-22-16-14-19(15-17-22)9-8-18-24-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2,4-5,10-11,14-17,21,23-24H,3,6-9,12-13,18H2,1H3;1H.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 67118786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).