N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine

C19H31NO — CID 65445898

IUPACN-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)C1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-4-20-19(17-10-5-15(2)6-11-17)14-9-16-7-12-18(21-3)13-8-16/h7-8,12-13,15,17,19-20H,4-6,9-11,14H2,1-3H3
InChIKeyHOXDJPKWCOXBMX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds7

About N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine

N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine (PubChem CID 65445898) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine
PubChem CID65445898
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)C1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-4-20-19(17-10-5-15(2)6-11-17)14-9-16-7-12-18(21-3)13-8-16/h7-8,12-13,15,17,19-20H,4-6,9-11,14H2,1-3H3
InChIKeyHOXDJPKWCOXBMX-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65445692
N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 65445145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine (CID 65445898) is N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine is CCNC(CCc1ccc(OC)cc1)C1CCC(C)CC1.
What is the InChIKey of N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine?
The InChIKey is HOXDJPKWCOXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20-19(17-10-5-15(2)6-11-17)14-9-16-7-12-18(21-3)13-8-16/h7-8,12-13,15,17,19-20H,4-6,9-11,14H2,1-3H3.
What are the key properties of N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine?
N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine is sourced from PubChem (CID 65445898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).