N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide

C17H19FN2O — CID 63358790

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2ccc(CN)cc2F)c1
InChIInChI=1S/C17H19FN2O/c1-11-5-12(2)7-15(6-11)17(21)20-10-14-4-3-13(9-19)8-16(14)18/h3-8H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyRTNGESFXWPUIJJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.83
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide (PubChem CID 63358790) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
PubChem CID63358790
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2ccc(CN)cc2F)c1
InChIInChI=1S/C17H19FN2O/c1-11-5-12(2)7-15(6-11)17(21)20-10-14-4-3-13(9-19)8-16(14)18/h3-8H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyRTNGESFXWPUIJJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801076
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
CID 63359762
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate
CID 114461411

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide (CID 63358790) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCc2ccc(CN)cc2F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide?
The InChIKey is RTNGESFXWPUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-5-12(2)7-15(6-11)17(21)20-10-14-4-3-13(9-19)8-16(14)18/h3-8H,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 63358790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).