3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol

C17H20BrNO2 — CID 65185329

IUPAC3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)cc1C(CN)C(O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-11-3-8-16(21-2)14(9-11)15(10-19)17(20)12-4-6-13(18)7-5-12/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyUMJKVJWZPYIOSQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.54
Rot. Bonds5

About 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol

3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 65185329) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
PubChem CID65185329
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)cc1C(CN)C(O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-11-3-8-16(21-2)14(9-11)15(10-19)17(20)12-4-6-13(18)7-5-12/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyUMJKVJWZPYIOSQ-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-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
3-amino-2-(2-methoxy-5-methylphenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65185382
3-amino-1-(5-ethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185380
3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 107994881
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 82704014
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol (CID 65185329) is 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol is COc1ccc(C)cc1C(CN)C(O)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is UMJKVJWZPYIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-3-8-16(21-2)14(9-11)15(10-19)17(20)12-4-6-13(18)7-5-12/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-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-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 65185329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).