3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol

C16H17BrClNO — CID 107984150

IUPAC3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
SMILESCc1cccc(C(O)C(CN)c2ccccc2Cl)c1Br
InChIInChI=1S/C16H17BrClNO/c1-10-5-4-7-12(15(10)17)16(20)13(9-19)11-6-2-3-8-14(11)18/h2-8,13,16,20H,9,19H2,1H3
InChIKeySGLQECDONUWBEF-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.19
Rot. Bonds4

About 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol

3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol (PubChem CID 107984150) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
PubChem CID107984150
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
SMILESCc1cccc(C(O)C(CN)c2ccccc2Cl)c1Br
InChIInChI=1S/C16H17BrClNO/c1-10-5-4-7-12(15(10)17)16(20)13(9-19)11-6-2-3-8-14(11)18/h2-8,13,16,20H,9,19H2,1H3
InChIKeySGLQECDONUWBEF-UHFFFAOYSA-N
XLogP4.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
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3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
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3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
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3-amino-2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 65238078
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
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2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol (CID 107984150) is 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol is Cc1cccc(C(O)C(CN)c2ccccc2Cl)c1Br.
What is the InChIKey of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol?
The InChIKey is SGLQECDONUWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-5-4-7-12(15(10)17)16(20)13(9-19)11-6-2-3-8-14(11)18/h2-8,13,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol?
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol has a molecular weight of 354.68 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol is sourced from PubChem (CID 107984150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).