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

C16H17BrClNO2 — CID 107994881

IUPAC3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CN)C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H17BrClNO2/c1-21-15-5-3-2-4-11(15)12(9-19)16(20)10-6-7-14(18)13(17)8-10/h2-8,12,16,20H,9,19H2,1H3
InChIKeyLHUKEKATGTZSDF-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.89
Rot. Bonds5

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

3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 107994881) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
PubChem CID107994881
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(CN)C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H17BrClNO2/c1-21-15-5-3-2-4-11(15)12(9-19)16(20)10-6-7-14(18)13(17)8-10/h2-8,12,16,20H,9,19H2,1H3
InChIKeyLHUKEKATGTZSDF-UHFFFAOYSA-N
XLogP3.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol (CID 107994881) is 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(CN)C(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is LHUKEKATGTZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-21-15-5-3-2-4-11(15)12(9-19)16(20)10-6-7-14(18)13(17)8-10/h2-8,12,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol?
3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 370.67 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 107994881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).