1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol

C15H22ClNO — CID 60724687

IUPAC1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
SMILESOC(CNC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c16-13-9-7-12(8-10-13)15(18)11-17-14-5-3-1-2-4-6-14/h7-10,14-15,17-18H,1-6,11H2
InChIKeyHZHYVFAMMVXXCW-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol

1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol (PubChem CID 60724687) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
PubChem CID60724687
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
SMILESOC(CNC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c16-13-9-7-12(8-10-13)15(18)11-17-14-5-3-1-2-4-6-14/h7-10,14-15,17-18H,1-6,11H2
InChIKeyHZHYVFAMMVXXCW-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(4-chlorophenyl)-2-[(2-methylsulfanylcyclohexyl)amino]ethanol
CID 103776488
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol (CID 60724687) is 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol is OC(CNC1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol?
The InChIKey is HZHYVFAMMVXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-13-9-7-12(8-10-13)15(18)11-17-14-5-3-1-2-4-6-14/h7-10,14-15,17-18H,1-6,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol?
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol has a molecular weight of 267.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol is sourced from PubChem (CID 60724687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).