4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

C19H21F3N2O — CID 119316502

IUPAC4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(CN)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-18(2,15-4-3-5-16(10-15)19(20,21)22)12-24-17(25)14-8-6-13(11-23)7-9-14/h3-10H,11-12,23H2,1-2H3,(H,24,25)
InChIKeyVPMDHAHBTPRRKJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.87
Rot. Bonds5

About 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide (PubChem CID 119316502) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
PubChem CID119316502
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(CN)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-18(2,15-4-3-5-16(10-15)19(20,21)22)12-24-17(25)14-8-6-13(11-23)7-9-14/h3-10H,11-12,23H2,1-2H3,(H,24,25)
InChIKeyVPMDHAHBTPRRKJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
CID 119316501
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
4-(aminomethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119309920
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122000298

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide (CID 119316502) is 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide is CC(C)(CNC(=O)c1ccc(CN)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
The InChIKey is VPMDHAHBTPRRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-18(2,15-4-3-5-16(10-15)19(20,21)22)12-24-17(25)14-8-6-13(11-23)7-9-14/h3-10H,11-12,23H2,1-2H3,(H,24,25).
What are the key properties of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide is sourced from PubChem (CID 119316502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).