4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride

C19H25ClN2O — CID 119323110

IUPAC4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)c1ccc(CN)cc1)C(C)C.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-13(2)18(17-7-5-4-6-14(17)3)21-19(22)16-10-8-15(12-20)9-11-16;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H
InChIKeySMYYTRDIHAYFTG-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.00
Rot. Bonds5

About 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride (PubChem CID 119323110) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
PubChem CID119323110
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)c1ccc(CN)cc1)C(C)C.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-13(2)18(17-7-5-4-6-14(17)3)21-19(22)16-10-8-15(12-20)9-11-16;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H
InChIKeySMYYTRDIHAYFTG-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
CID 119327103
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
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4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide
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4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
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4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide
CID 96525205
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
CID 119320424
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
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2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
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4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride (CID 119323110) is 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride is Cc1ccccc1C(NC(=O)c1ccc(CN)cc1)C(C)C.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride?
The InChIKey is SMYYTRDIHAYFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-13(2)18(17-7-5-4-6-14(17)3)21-19(22)16-10-8-15(12-20)9-11-16;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 4.00, 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-1-(2-methylphenyl)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119323110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).