4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride

C20H27ClN2O — CID 119334153

IUPAC4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
SMILESCCc1ccc(C(C)(C)CNC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-4-15-7-11-18(12-8-15)20(2,3)14-22-19(23)17-9-5-16(13-21)6-10-17;/h5-12H,4,13-14,21H2,1-3H3,(H,22,23);1H
InChIKeyARICCNAEXNWKEC-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.84
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride (PubChem CID 119334153) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
PubChem CID119334153
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
SMILESCCc1ccc(C(C)(C)CNC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-4-15-7-11-18(12-8-15)20(2,3)14-22-19(23)17-9-5-16(13-21)6-10-17;/h5-12H,4,13-14,21H2,1-3H3,(H,22,23);1H
InChIKeyARICCNAEXNWKEC-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.84
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
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119316502
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
CID 115271137
4-(aminomethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119309920
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
N-[2-(4-ethylphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119802083
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
2-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430415
5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid
CID 167786368

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride (CID 119334153) is 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride is CCc1ccc(C(C)(C)CNC(=O)c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride?
The InChIKey is ARICCNAEXNWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-4-15-7-11-18(12-8-15)20(2,3)14-22-19(23)17-9-5-16(13-21)6-10-17;/h5-12H,4,13-14,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride is sourced from PubChem (CID 119334153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).