1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine

C24H29NO — CID 77194557

IUPAC1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine
SMILESCOc1ccc(C#CC(NC(C)c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H29NO/c1-19(21-9-5-3-6-10-21)25-24(22-11-7-4-8-12-22)18-15-20-13-16-23(26-2)17-14-20/h3,5-6,9-10,13-14,16-17,19,22,24-25H,4,7-8,11-12H2,1-2H3
InChIKeyWYPHDMZCEVXPBL-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.35
Rot. Bonds5

About 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine

1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine (PubChem CID 77194557) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine
PubChem CID77194557
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine
SMILESCOc1ccc(C#CC(NC(C)c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H29NO/c1-19(21-9-5-3-6-10-21)25-24(22-11-7-4-8-12-22)18-15-20-13-16-23(26-2)17-14-20/h3,5-6,9-10,13-14,16-17,19,22,24-25H,4,7-8,11-12H2,1-2H3
InChIKeyWYPHDMZCEVXPBL-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
1-[3-cyclopentyl-3-(4-methoxyphenyl)prop-1-ynyl]-4-methylbenzene
CID 177441906
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
CID 56587993
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
1-(3-chlorobut-1-ynyl)-4-methoxybenzene
CID 121218396
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
2-(4-methoxyphenyl)ethynyl-triphenylphosphanium
CID 23415442
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine?
The IUPAC name of 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine (CID 77194557) is 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine.
What is the SMILES notation for 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine?
The canonical SMILES for 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine is COc1ccc(C#CC(NC(C)c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine?
The InChIKey is WYPHDMZCEVXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-19(21-9-5-3-6-10-21)25-24(22-11-7-4-8-12-22)18-15-20-13-16-23(26-2)17-14-20/h3,5-6,9-10,13-14,16-17,19,22,24-25H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine?
1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine has a molecular weight of 347.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methoxyphenyl)-N-(1-phenylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 77194557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).