2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol

C15H22ClNO — CID 114239649

IUPAC2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
SMILESOC(CC1CCCCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c16-13-8-6-12(7-9-13)15(18)11-14-5-3-1-2-4-10-17-14/h6-9,14-15,17-18H,1-5,10-11H2
InChIKeyHPAMYCDECGDIOL-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.69
Rot. Bonds3

About 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol

2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol (PubChem CID 114239649) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
PubChem CID114239649
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
SMILESOC(CC1CCCCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c16-13-8-6-12(7-9-13)15(18)11-14-5-3-1-2-4-10-17-14/h6-9,14-15,17-18H,1-5,10-11H2
InChIKeyHPAMYCDECGDIOL-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol (CID 114239649) is 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol is OC(CC1CCCCCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol?
The InChIKey is HPAMYCDECGDIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-13-8-6-12(7-9-13)15(18)11-14-5-3-1-2-4-10-17-14/h6-9,14-15,17-18H,1-5,10-11H2.
What are the key properties of 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol?
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol has a molecular weight of 267.80 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 114239649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).