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

C17H20BrNO2 — CID 106508119

IUPAC2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1ccc(CC(CN)(CO)c2ccccc2)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-21-16-8-7-13(9-15(16)18)10-17(11-19,12-20)14-5-3-2-4-6-14/h2-9,20H,10-12,19H2,1H3
InChIKeyWLHQKZAPQGGSMV-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.89
Rot. Bonds6

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

2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol (PubChem CID 106508119) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
PubChem CID106508119
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1ccc(CC(CN)(CO)c2ccccc2)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-21-16-8-7-13(9-15(16)18)10-17(11-19,12-20)14-5-3-2-4-6-14/h2-9,20H,10-12,19H2,1H3
InChIKeyWLHQKZAPQGGSMV-UHFFFAOYSA-N
XLogP2.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[2-(bromomethyl)-2-phenylbutyl]-1-methoxybenzene
CID 66049589
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
2-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149674
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol (CID 106508119) is 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol is COc1ccc(CC(CN)(CO)c2ccccc2)cc1Br.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol?
The InChIKey is WLHQKZAPQGGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-21-16-8-7-13(9-15(16)18)10-17(11-19,12-20)14-5-3-2-4-6-14/h2-9,20H,10-12,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol?
2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 106508119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).