2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol

C15H16BrFN2O — CID 106507097

IUPAC2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(Br)cn1)c1cccc(F)c1
InChIInChI=1S/C15H16BrFN2O/c16-12-4-5-14(19-8-12)7-15(9-18,10-20)11-2-1-3-13(17)6-11/h1-6,8,20H,7,9-10,18H2
InChIKeySSNHCYJRHHZHSH-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.41
Rot. Bonds5

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

2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 106507097) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID106507097
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(Br)cn1)c1cccc(F)c1
InChIInChI=1S/C15H16BrFN2O/c16-12-4-5-14(19-8-12)7-15(9-18,10-20)11-2-1-3-13(17)6-11/h1-6,8,20H,7,9-10,18H2
InChIKeySSNHCYJRHHZHSH-UHFFFAOYSA-N
XLogP2.41
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
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-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol
CID 104813454
2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445085
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
CID 106507132
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445087

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol (CID 106507097) is 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol is NCC(CO)(Cc1ccc(Br)cn1)c1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is SSNHCYJRHHZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c16-12-4-5-14(19-8-12)7-15(9-18,10-20)11-2-1-3-13(17)6-11/h1-6,8,20H,7,9-10,18H2.
What are the key properties of 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 339.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 106507097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).