(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine

C16H25N — CID 121454644

IUPAC(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
SMILESCC1(C)CCC([C@@H](CN)c2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-16(2)10-8-14(9-11-16)15(12-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3/t15-/m0/s1
InChIKeyZTDUMXGRBDBVAN-HNNXBMFYSA-N
MW231.38 g/mol
LogP3.95
Rot. Bonds3

About (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine

(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine (PubChem CID 121454644) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
PubChem CID121454644
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
SMILESCC1(C)CCC([C@@H](CN)c2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-16(2)10-8-14(9-11-16)15(12-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3/t15-/m0/s1
InChIKeyZTDUMXGRBDBVAN-HNNXBMFYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
(2R)-2-(4-bromophenyl)-2-(4,4-dimethylcyclohexyl)ethanamine
CID 121454594
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene
CID 145116245
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 166274415
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
[1-fluoro-4-(1-phenylbutyl)cyclohexyl]phosphane
CID 156542653
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine?
The IUPAC name of (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine (CID 121454644) is (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine.
What is the SMILES notation for (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine?
The canonical SMILES for (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine is CC1(C)CCC([C@@H](CN)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine?
The InChIKey is ZTDUMXGRBDBVAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2)10-8-14(9-11-16)15(12-17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine?
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine is sourced from PubChem (CID 121454644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).