3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol

C10H14ClNO — CID 60734098

IUPAC3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3
InChIKeyJUVRWRMETJANJC-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol

3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol (PubChem CID 60734098) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
PubChem CID60734098
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3
InChIKeyJUVRWRMETJANJC-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
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3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
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3-(2-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
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3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
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1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol (CID 60734098) is 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol is CC(CN)C(O)c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol?
The InChIKey is JUVRWRMETJANJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3.
What are the key properties of 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol?
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 60734098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).