4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide

C17H19FN2O — CID 60938948

IUPAC4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C17H19FN2O/c1-12(15-5-3-4-6-16(15)18)20(2)17(21)14-9-7-13(11-19)8-10-14/h3-10,12H,11,19H2,1-2H3
InChIKeyHOGVGAZCGZDEMO-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.12
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide

4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide (PubChem CID 60938948) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
PubChem CID60938948
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C17H19FN2O/c1-12(15-5-3-4-6-16(15)18)20(2)17(21)14-9-7-13(11-19)8-10-14/h3-10,12H,11,19H2,1-2H3
InChIKeyHOGVGAZCGZDEMO-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62978778
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid
CID 146137098

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide (CID 60938948) is 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1F)N(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is HOGVGAZCGZDEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(15-5-3-4-6-16(15)18)20(2)17(21)14-9-7-13(11-19)8-10-14/h3-10,12H,11,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 60938948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).