2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol

C16H25NO — CID 117372106

IUPAC2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
SMILESCC1(C)CCCC(c2cccc(C(O)CN)c2)C1
InChIInChI=1S/C16H25NO/c1-16(2)8-4-7-14(10-16)12-5-3-6-13(9-12)15(18)11-17/h3,5-6,9,14-15,18H,4,7-8,10-11,17H2,1-2H3
InChIKeyNEBUBEIWQXQZBY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol

2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol (PubChem CID 117372106) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
PubChem CID117372106
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
SMILESCC1(C)CCCC(c2cccc(C(O)CN)c2)C1
InChIInChI=1S/C16H25NO/c1-16(2)8-4-7-14(10-16)12-5-3-6-13(9-12)15(18)11-17/h3,5-6,9,14-15,18H,4,7-8,10-11,17H2,1-2H3
InChIKeyNEBUBEIWQXQZBY-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117397255
2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol
CID 83833468
1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117363257
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
CID 117431724
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-[3-(3,3-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanone
CID 117402794
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284
2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368882
1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol (CID 117372106) is 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol is CC1(C)CCCC(c2cccc(C(O)CN)c2)C1.
What is the InChIKey of 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol?
The InChIKey is NEBUBEIWQXQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)8-4-7-14(10-16)12-5-3-6-13(9-12)15(18)11-17/h3,5-6,9,14-15,18H,4,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol?
2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol is sourced from PubChem (CID 117372106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).