2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol

C18H29NO — CID 60900441

IUPAC2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNC2CCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)15-9-11-16(12-10-15)18(20)13-19-17-7-5-3-4-6-8-17/h9-12,14,17-20H,3-8,13H2,1-2H3
InChIKeyWWXVSYSFHYQAFW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds5

About 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60900441) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60900441
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNC2CCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)15-9-11-16(12-10-15)18(20)13-19-17-7-5-3-4-6-8-17/h9-12,14,17-20H,3-8,13H2,1-2H3
InChIKeyWWXVSYSFHYQAFW-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 64733261
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 60900441) is 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNC2CCCCCC2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is WWXVSYSFHYQAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)15-9-11-16(12-10-15)18(20)13-19-17-7-5-3-4-6-8-17/h9-12,14,17-20H,3-8,13H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60900441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).