2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride

C15H24ClNO — CID 45358024

IUPAC2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
SMILESCc1ccc(C(CN)C2CCCCC2O)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-11-6-8-12(9-7-11)14(10-16)13-4-2-3-5-15(13)17;/h6-9,13-15,17H,2-5,10,16H2,1H3;1H
InChIKeySXVUXSPYIJGMEK-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.01
Rot. Bonds3

About 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride

2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride (PubChem CID 45358024) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
PubChem CID45358024
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
SMILESCc1ccc(C(CN)C2CCCCC2O)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-11-6-8-12(9-7-11)14(10-16)13-4-2-3-5-15(13)17;/h6-9,13-15,17H,2-5,10,16H2,1H3;1H
InChIKeySXVUXSPYIJGMEK-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 70440886
(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
CID 70378314
cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
CID 57084469
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
2-[1-(4-methylphenyl)-4-piperazin-1-ylbutyl]cyclooctan-1-ol
CID 69350880
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
3-(2-amino-1-phenylethyl)piperidin-4-ol
CID 68810626

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride (CID 45358024) is 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride is Cc1ccc(C(CN)C2CCCCC2O)cc1.Cl.
What is the InChIKey of 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is SXVUXSPYIJGMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-11-6-8-12(9-7-11)14(10-16)13-4-2-3-5-15(13)17;/h6-9,13-15,17H,2-5,10,16H2,1H3;1H.
What are the key properties of 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride?
2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 45358024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).