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

C17H27NO — CID 106830149

IUPAC3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
SMILESCOc1ccc(CCC(N)C2(C)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-17(12-4-3-5-13-17)16(18)11-8-14-6-9-15(19-2)10-7-14/h6-7,9-10,16H,3-5,8,11-13,18H2,1-2H3
InChIKeyLWIOBLSHLABWHL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds5

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

3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine (PubChem CID 106830149) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
PubChem CID106830149
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
SMILESCOc1ccc(CCC(N)C2(C)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-17(12-4-3-5-13-17)16(18)11-8-14-6-9-15(19-2)10-7-14/h6-7,9-10,16H,3-5,8,11-13,18H2,1-2H3
InChIKeyLWIOBLSHLABWHL-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propyl]hydrazine
CID 106831235
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
CID 115864749
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
CID 106826782
1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol
CID 79067614
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol
CID 102075673
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine (CID 106830149) is 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine is COc1ccc(CCC(N)C2(C)CCCCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine?
The InChIKey is LWIOBLSHLABWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(12-4-3-5-13-17)16(18)11-8-14-6-9-15(19-2)10-7-14/h6-7,9-10,16H,3-5,8,11-13,18H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine?
3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine is sourced from PubChem (CID 106830149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).