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

C17H20BrNO2 — CID 115370283

IUPAC3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCOc1cc(Br)ccc1C(O)C(CN)c1cccc(C)c1
InChIInChI=1S/C17H20BrNO2/c1-11-4-3-5-12(8-11)15(10-19)17(20)14-7-6-13(18)9-16(14)21-2/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyDBPPIRLAWMXAPE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.54
Rot. Bonds5

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

3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 115370283) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID115370283
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCOc1cc(Br)ccc1C(O)C(CN)c1cccc(C)c1
InChIInChI=1S/C17H20BrNO2/c1-11-4-3-5-12(8-11)15(10-19)17(20)14-7-6-13(18)9-16(14)21-2/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyDBPPIRLAWMXAPE-UHFFFAOYSA-N
XLogP3.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol (CID 115370283) is 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol is COc1cc(Br)ccc1C(O)C(CN)c1cccc(C)c1.
What is the InChIKey of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is DBPPIRLAWMXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-4-3-5-12(8-11)15(10-19)17(20)14-7-6-13(18)9-16(14)21-2/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol?
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 115370283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).