2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol

C17H20BrNO2 — CID 65323842

IUPAC2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(Br)c(CNC(CO)Cc2ccccc2)c1
InChIInChI=1S/C17H20BrNO2/c1-21-16-7-8-17(18)14(10-16)11-19-15(12-20)9-13-5-3-2-4-6-13/h2-8,10,15,19-20H,9,11-12H2,1H3
InChIKeyOXLHVIOHKPOJBW-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.15
Rot. Bonds7

About 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol

2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 65323842) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID65323842
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(Br)c(CNC(CO)Cc2ccccc2)c1
InChIInChI=1S/C17H20BrNO2/c1-21-16-7-8-17(18)14(10-16)11-19-15(12-20)9-13-5-3-2-4-6-13/h2-8,10,15,19-20H,9,11-12H2,1H3
InChIKeyOXLHVIOHKPOJBW-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 102563008
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511984
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
CID 106023506
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol (CID 65323842) is 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol is COc1ccc(Br)c(CNC(CO)Cc2ccccc2)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is OXLHVIOHKPOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-21-16-7-8-17(18)14(10-16)11-19-15(12-20)9-13-5-3-2-4-6-13/h2-8,10,15,19-20H,9,11-12H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 65323842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).