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

C20H27ClN2O — CID 75429854

IUPAC4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-4-19(13-16-7-5-15(2)6-8-16)22(3)20(23)18-11-9-17(14-21)10-12-18;/h5-12,19H,4,13-14,21H2,1-3H3;1H
InChIKeyHCYVDRZUWFIQJD-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.97
Rot. Bonds6

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

4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride (PubChem CID 75429854) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
PubChem CID75429854
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-4-19(13-16-7-5-15(2)6-8-16)22(3)20(23)18-11-9-17(14-21)10-12-18;/h5-12,19H,4,13-14,21H2,1-3H3;1H
InChIKeyHCYVDRZUWFIQJD-UHFFFAOYSA-N
XLogP3.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 122142637
N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 124607313
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011
3-[[methyl-[1-(4-methylphenyl)butan-2-yl]carbamoyl]amino]propanoic acid
CID 122017579
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119806868
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
CID 119806881
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 119806871

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride (CID 75429854) is 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride is CCC(Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride?
The InChIKey is HCYVDRZUWFIQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-4-19(13-16-7-5-15(2)6-8-16)22(3)20(23)18-11-9-17(14-21)10-12-18;/h5-12,19H,4,13-14,21H2,1-3H3;1H.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride?
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 75429854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).