2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol

C16H17BrFNO — CID 106508102

IUPAC2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(CO)(Cc1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrFNO/c17-14-6-12(7-15(18)8-14)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,20H,9-11,19H2
InChIKeyIGUFCWZZZRPART-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.02
Rot. Bonds5

About 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol

2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol (PubChem CID 106508102) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
PubChem CID106508102
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(CO)(Cc1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrFNO/c17-14-6-12(7-15(18)8-14)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,20H,9-11,19H2
InChIKeyIGUFCWZZZRPART-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-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 105411067
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
1-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-3,5-difluorobenzene
CID 105411144
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 106508119
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
2-[(3-bromo-5-fluorophenyl)methyl]-3-oxo-2-phenylbutanenitrile
CID 79698194
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol (CID 106508102) is 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol is NCC(CO)(Cc1cc(F)cc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol?
The InChIKey is IGUFCWZZZRPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c17-14-6-12(7-15(18)8-14)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,20H,9-11,19H2.
What are the key properties of 2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol?
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-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-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 106508102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).