3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol

C16H17BrClNO — CID 107994915

IUPAC3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H17BrClNO/c1-10-3-2-4-11(7-10)14(9-19)16(20)13-6-5-12(18)8-15(13)17/h2-8,14,16,20H,9,19H2,1H3
InChIKeyOCNWFKFJVVGIGT-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.19
Rot. Bonds4

About 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol

3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 107994915) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID107994915
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)C(O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H17BrClNO/c1-10-3-2-4-11(7-10)14(9-19)16(20)13-6-5-12(18)8-15(13)17/h2-8,14,16,20H,9,19H2,1H3
InChIKeyOCNWFKFJVVGIGT-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-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
CID 65188216
3-amino-1-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol (CID 107994915) is 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)C(O)c2ccc(Cl)cc2Br)c1.
What is the InChIKey of 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is OCNWFKFJVVGIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-3-2-4-11(7-10)14(9-19)16(20)13-6-5-12(18)8-15(13)17/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol?
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)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-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 107994915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).