1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol

C17H21FN2O — CID 43575790

IUPAC1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(F)cc1)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H21FN2O/c1-20(11-14-4-8-16(18)9-5-14)12-17(21)15-6-2-13(10-19)3-7-15/h2-9,17,21H,10-12,19H2,1H3
InChIKeyVYGVDATWFDJZBY-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.45
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol

1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol (PubChem CID 43575790) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
PubChem CID43575790
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(F)cc1)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H21FN2O/c1-20(11-14-4-8-16(18)9-5-14)12-17(21)15-6-2-13(10-19)3-7-15/h2-9,17,21H,10-12,19H2,1H3
InChIKeyVYGVDATWFDJZBY-UHFFFAOYSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 62266116
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561328
1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 116907154
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
ethane;(4-fluorophenyl)methanamine
CID 142071105

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol (CID 43575790) is 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol is CN(Cc1ccc(F)cc1)CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
The InChIKey is VYGVDATWFDJZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(11-14-4-8-16(18)9-5-14)12-17(21)15-6-2-13(10-19)3-7-15/h2-9,17,21H,10-12,19H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol?
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol has a molecular weight of 288.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 43575790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).