2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine

C16H25NO — CID 82244560

IUPAC2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
SMILESCOc1ccc(C2CCCCC2C(C)CN)cc1
InChIInChI=1S/C16H25NO/c1-12(11-17)15-5-3-4-6-16(15)13-7-9-14(18-2)10-8-13/h7-10,12,15-16H,3-6,11,17H2,1-2H3
InChIKeyCZRVFHUXDIIHSK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine

2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine (PubChem CID 82244560) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
PubChem CID82244560
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
SMILESCOc1ccc(C2CCCCC2C(C)CN)cc1
InChIInChI=1S/C16H25NO/c1-12(11-17)15-5-3-4-6-16(15)13-7-9-14(18-2)10-8-13/h7-10,12,15-16H,3-6,11,17H2,1-2H3
InChIKeyCZRVFHUXDIIHSK-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
CID 82244196
2-(2-phenylcycloheptyl)propan-1-amine
CID 82242886
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
[4-(4-methoxyphenyl)oxan-3-yl]methanamine
CID 84788082
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine?
The IUPAC name of 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine (CID 82244560) is 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine is COc1ccc(C2CCCCC2C(C)CN)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine?
The InChIKey is CZRVFHUXDIIHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(11-17)15-5-3-4-6-16(15)13-7-9-14(18-2)10-8-13/h7-10,12,15-16H,3-6,11,17H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine?
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 82244560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).