(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride

C14H19Cl2NO — CID 163219221

IUPAC(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride
SMILESCC12CCC([C@@H](O)c3cccc(Cl)c3)(CC1)N2.Cl
InChIInChI=1S/C14H18ClNO.ClH/c1-13-5-7-14(16-13,8-6-13)12(17)10-3-2-4-11(15)9-10;/h2-4,9,12,16-17H,5-8H2,1H3;1H/t12-,13?,14?;/m0./s1
InChIKeyKWPYTTXBNLFUEH-NEWLCSRUSA-N
MW288.22 g/mol
LogP3.47
Rot. Bonds2

About (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride

(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride (PubChem CID 163219221) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride
PubChem CID163219221
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride
SMILESCC12CCC([C@@H](O)c3cccc(Cl)c3)(CC1)N2.Cl
InChIInChI=1S/C14H18ClNO.ClH/c1-13-5-7-14(16-13,8-6-13)12(17)10-3-2-4-11(15)9-10;/h2-4,9,12,16-17H,5-8H2,1H3;1H/t12-,13?,14?;/m0./s1
InChIKeyKWPYTTXBNLFUEH-NEWLCSRUSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
CID 163219237
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
(S)-(3-chlorophenyl)-[(3S)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol
CID 163219268
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138512
(3-chlorophenyl)methanediol
CID 20679602
1-[(3-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136424
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-(3-chlorophenyl)butan-2-ol
CID 66437186
(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid
CID 155126957
(3-chlorophenyl)-fluoromethanol
CID 70239224
1-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390440

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride?
The IUPAC name of (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride (CID 163219221) is (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride.
What is the SMILES notation for (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride?
The canonical SMILES for (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride is CC12CCC([C@@H](O)c3cccc(Cl)c3)(CC1)N2.Cl.
What is the InChIKey of (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride?
The InChIKey is KWPYTTXBNLFUEH-NEWLCSRUSA-N. The full InChI is InChI=1S/C14H18ClNO.ClH/c1-13-5-7-14(16-13,8-6-13)12(17)10-3-2-4-11(15)9-10;/h2-4,9,12,16-17H,5-8H2,1H3;1H/t12-,13?,14?;/m0./s1.
What are the key properties of (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride?
(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride has a molecular weight of 288.22 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride is sourced from PubChem (CID 163219221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).