1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine

C16H25N — CID 115005957

IUPAC1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
SMILESCC(N)c1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C16H25N/c1-12(17)13-4-6-14(7-5-13)15-8-10-16(2,3)11-9-15/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeyGQFWIHZJKJGAES-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.39
Rot. Bonds2

About 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine

1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine (PubChem CID 115005957) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
PubChem CID115005957
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
SMILESCC(N)c1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C16H25N/c1-12(17)13-4-6-14(7-5-13)15-8-10-16(2,3)11-9-15/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeyGQFWIHZJKJGAES-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylphenyl)ethanamine
CID 55211304
2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
CID 117408120
1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117408766
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898
1-[4-(1-methylcyclopropyl)phenyl]ethanamine
CID 117047647
(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine
CID 89490013
3-cyclopropyl-3-[4-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484279
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
CID 59166669
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine (CID 115005957) is 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine is CC(N)c1ccc(C2CCC(C)(C)CC2)cc1.
What is the InChIKey of 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine?
The InChIKey is GQFWIHZJKJGAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(17)13-4-6-14(7-5-13)15-8-10-16(2,3)11-9-15/h4-7,12,15H,8-11,17H2,1-3H3.
What are the key properties of 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine?
1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine is sourced from PubChem (CID 115005957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).