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

C19H22ClF3N2O — CID 119316501

IUPAC4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
SMILESCC(C)(CNC(=O)c1ccc(CN)cc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C19H21F3N2O.ClH/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);1H
InChIKeyFAVOAQUMDUTJIG-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.29
Rot. Bonds5

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

4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride (PubChem CID 119316501) has the molecular formula C19H22ClF3N2O and a molecular weight of 386.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
PubChem CID119316501
Molecular FormulaC19H22ClF3N2O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC Name4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
SMILESCC(C)(CNC(=O)c1ccc(CN)cc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C19H21F3N2O.ClH/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);1H
InChIKeyFAVOAQUMDUTJIG-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.29
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
CID 119316502
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-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
4-(aminomethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119309920
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
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-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122000298
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride (CID 119316501) is 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride is CC(C)(CNC(=O)c1ccc(CN)cc1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride?
The InChIKey is FAVOAQUMDUTJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O.ClH/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);1H.
What are the key properties of 4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride has a molecular weight of 386.85 g/mol, XLogP of 4.29, 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;hydrochloride is sourced from PubChem (CID 119316501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).