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

C19H25ClN2O2 — CID 119298341

IUPAC4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1ccccc1OCCCN(C)C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-6-3-4-7-18(15)23-13-5-12-21(2)19(22)17-10-8-16(14-20)9-11-17;/h3-4,6-11H,5,12-14,20H2,1-2H3;1H
InChIKeyCTRLZYIGNAZKOD-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.42
Rot. Bonds7

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

4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride (PubChem CID 119298341) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
PubChem CID119298341
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1ccccc1OCCCN(C)C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-6-3-4-7-18(15)23-13-5-12-21(2)19(22)17-10-8-16(14-20)9-11-17;/h3-4,6-11H,5,12-14,20H2,1-2H3;1H
InChIKeyCTRLZYIGNAZKOD-UHFFFAOYSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]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

N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55897549
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119298347
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
[4-[methyl-[3-(2-methylphenoxy)propyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 55898057
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
CID 115734604
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride (CID 119298341) is 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride is Cc1ccccc1OCCCN(C)C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
The InChIKey is CTRLZYIGNAZKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-15-6-3-4-7-18(15)23-13-5-12-21(2)19(22)17-10-8-16(14-20)9-11-17;/h3-4,6-11H,5,12-14,20H2,1-2H3;1H.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119298341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).