3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride

C20H27ClN2O2 — CID 120609501

IUPAC3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
SMILESCc1ccccc1OCCCN(C)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-16-8-3-6-11-19(16)24-15-7-14-22(2)20(23)13-12-17-9-4-5-10-18(17)21;/h3-6,8-11H,7,12-15,21H2,1-2H3;1H
InChIKeyIEPSBGBTYMHHJH-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.86
Rot. Bonds8

About 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride (PubChem CID 120609501) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
PubChem CID120609501
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
SMILESCc1ccccc1OCCCN(C)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-16-8-3-6-11-19(16)24-15-7-14-22(2)20(23)13-12-17-9-4-5-10-18(17)21;/h3-6,8-11H,7,12-15,21H2,1-2H3;1H
InChIKeyIEPSBGBTYMHHJH-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride (CID 120609501) is 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride is Cc1ccccc1OCCCN(C)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride?
The InChIKey is IEPSBGBTYMHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-16-8-3-6-11-19(16)24-15-7-14-22(2)20(23)13-12-17-9-4-5-10-18(17)21;/h3-6,8-11H,7,12-15,21H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120609501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).