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

C16H18FNO — CID 106508050

IUPAC2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(CO)(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO/c17-15-8-4-5-13(9-15)10-16(11-18,12-19)14-6-2-1-3-7-14/h1-9,19H,10-12,18H2
InChIKeyINTOIRIJPJAKQF-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.26
Rot. Bonds5

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

2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol (PubChem CID 106508050) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
PubChem CID106508050
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(CO)(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO/c17-15-8-4-5-13(9-15)10-16(11-18,12-19)14-6-2-1-3-7-14/h1-9,19H,10-12,18H2
InChIKeyINTOIRIJPJAKQF-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 105411067
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
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
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol (CID 106508050) is 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol is NCC(CO)(Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol?
The InChIKey is INTOIRIJPJAKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-15-8-4-5-13(9-15)10-16(11-18,12-19)14-6-2-1-3-7-14/h1-9,19H,10-12,18H2.
What are the key properties of 2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol?
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 2.26, 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-fluorophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 106508050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).