3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride

C19H25ClN2O2 — CID 120609902

IUPAC3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(2)23-13-15-6-5-8-17(12-15)21-19(22)11-10-16-7-3-4-9-18(16)20;/h3-9,12,14H,10-11,13,20H2,1-2H3,(H,21,22);1H
InChIKeySUHMXTVVUJAGQZ-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.19
Rot. Bonds7

About 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride (PubChem CID 120609902) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
PubChem CID120609902
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(2)23-13-15-6-5-8-17(12-15)21-19(22)11-10-16-7-3-4-9-18(16)20;/h3-9,12,14H,10-11,13,20H2,1-2H3,(H,21,22);1H
InChIKeySUHMXTVVUJAGQZ-UHFFFAOYSA-N
XLogP4.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
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CID 54795481
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide;hydrochloride
CID 120610897
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
3-(2-aminophenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
CID 120613542
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride (CID 120609902) is 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride is CC(C)OCc1cccc(NC(=O)CCc2ccccc2N)c1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride?
The InChIKey is SUHMXTVVUJAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14(2)23-13-15-6-5-8-17(12-15)21-19(22)11-10-16-7-3-4-9-18(16)20;/h3-9,12,14H,10-11,13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120609902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).