4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride

C19H25ClN2O2 — CID 119273373

IUPAC4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)c2ccc(CN)cc2)C(C)C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(2)18(15-8-10-17(23-3)11-9-15)21-19(22)16-6-4-14(12-20)5-7-16;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H
InChIKeyPGOXOCFQMLDXHB-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.70
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride

4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride (PubChem CID 119273373) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
PubChem CID119273373
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)c2ccc(CN)cc2)C(C)C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(2)18(15-8-10-17(23-3)11-9-15)21-19(22)16-6-4-14(12-20)5-7-16;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H
InChIKeyPGOXOCFQMLDXHB-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
CID 119318120
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048652
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31354794
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
CID 55395267
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119323110
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride (CID 119273373) is 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride is COc1ccc(C(NC(=O)c2ccc(CN)cc2)C(C)C)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride?
The InChIKey is PGOXOCFQMLDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-13(2)18(15-8-10-17(23-3)11-9-15)21-19(22)16-6-4-14(12-20)5-7-16;/h4-11,13,18H,12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride is sourced from PubChem (CID 119273373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).