2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol

C16H17BrFNO — CID 106507116

IUPAC2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C16H17BrFNO/c17-15-7-2-1-4-12(15)9-16(10-19,11-20)13-5-3-6-14(18)8-13/h1-8,20H,9-11,19H2
InChIKeyWYEUVMBUDOSVGK-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.02
Rot. Bonds5

About 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol

2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 106507116) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID106507116
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C16H17BrFNO/c17-15-7-2-1-4-12(15)9-16(10-19,11-20)13-5-3-6-14(18)8-13/h1-8,20H,9-11,19H2
InChIKeyWYEUVMBUDOSVGK-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445085
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507097
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776
2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 107310874
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol (CID 106507116) is 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol is NCC(CO)(Cc1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is WYEUVMBUDOSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c17-15-7-2-1-4-12(15)9-16(10-19,11-20)13-5-3-6-14(18)8-13/h1-8,20H,9-11,19H2.
What are the key properties of 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 338.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 106507116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).