3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol

C16H18BrNO2 — CID 115370271

IUPAC3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1cc(Br)ccc1C(O)C(CN)c1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-20-15-9-12(17)7-8-13(15)16(19)14(10-18)11-5-3-2-4-6-11/h2-9,14,16,19H,10,18H2,1H3
InChIKeyPJMOXGCBYFCNGY-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.23
Rot. Bonds5

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

3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol (PubChem CID 115370271) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
PubChem CID115370271
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1cc(Br)ccc1C(O)C(CN)c1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-20-15-9-12(17)7-8-13(15)16(19)14(10-18)11-5-3-2-4-6-11/h2-9,14,16,19H,10,18H2,1H3
InChIKeyPJMOXGCBYFCNGY-UHFFFAOYSA-N
XLogP3.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol (CID 115370271) is 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol is COc1cc(Br)ccc1C(O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
The InChIKey is PJMOXGCBYFCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-15-9-12(17)7-8-13(15)16(19)14(10-18)11-5-3-2-4-6-11/h2-9,14,16,19H,10,18H2,1H3.
What are the key properties of 3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol has a molecular weight of 336.23 g/mol, XLogP of 3.23, 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-phenylpropan-1-ol is sourced from PubChem (CID 115370271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).