3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine

C16H25N — CID 117335183

IUPAC3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
SMILESCC1CCC(c2ccccc2CCCN)CC1
InChIInChI=1S/C16H25N/c1-13-8-10-15(11-9-13)16-7-3-2-5-14(16)6-4-12-17/h2-3,5,7,13,15H,4,6,8-12,17H2,1H3
InChIKeyDELKSTSTAMHQQD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.87
Rot. Bonds4

About 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine

3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine (PubChem CID 117335183) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
PubChem CID117335183
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
SMILESCC1CCC(c2ccccc2CCCN)CC1
InChIInChI=1S/C16H25N/c1-13-8-10-15(11-9-13)16-7-3-2-5-14(16)6-4-12-17/h2-3,5,7,13,15H,4,6,8-12,17H2,1H3
InChIKeyDELKSTSTAMHQQD-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(thian-4-yl)phenyl]propan-1-amine
CID 117343756
1-cyclopropyl-2-hexylbenzene
CID 172995295
4-[2-(oxan-4-yl)phenyl]butan-1-amine
CID 117339355
2-methyl-1-[2-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366373
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
CID 115038495
1-cyclohexyl-2-heptylbenzene
CID 154399814
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
O-[(2-cyclopropylphenyl)methyl]hydroxylamine
CID 130051867
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine (CID 117335183) is 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine is CC1CCC(c2ccccc2CCCN)CC1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine?
The InChIKey is DELKSTSTAMHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-8-10-15(11-9-13)16-7-3-2-5-14(16)6-4-12-17/h2-3,5,7,13,15H,4,6,8-12,17H2,1H3.
What are the key properties of 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine?
3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine is sourced from PubChem (CID 117335183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).