1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol

C16H25NO — CID 116942075

IUPAC1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,18H,3-7,17H2,1-2H3
InChIKeyCRKUITKAUDQDIB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds3

About 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol

1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol (PubChem CID 116942075) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
PubChem CID116942075
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,18H,3-7,17H2,1-2H3
InChIKeyCRKUITKAUDQDIB-UHFFFAOYSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
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1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660160
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol (CID 116942075) is 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol is CC(C)(O)C(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol?
The InChIKey is CRKUITKAUDQDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15,18H,3-7,17H2,1-2H3.
What are the key properties of 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol?
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116942075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).