3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide

C19H25N3O — CID 120612277

IUPAC3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1cccc(CNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H25N3O/c1-22(2)14-16-7-5-6-15(12-16)13-21-19(23)11-10-17-8-3-4-9-18(17)20/h3-9,12H,10-11,13-14,20H2,1-2H3,(H,21,23)
InChIKeyNLWJXUASESGRNI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.58
Rot. Bonds7

About 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide

3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide (PubChem CID 120612277) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
PubChem CID120612277
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1cccc(CNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H25N3O/c1-22(2)14-16-7-5-6-15(12-16)13-21-19(23)11-10-17-8-3-4-9-18(17)20/h3-9,12H,10-11,13-14,20H2,1-2H3,(H,21,23)
InChIKeyNLWJXUASESGRNI-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.58
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-(2-aminophenyl)-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609991
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
3-(2-aminophenyl)-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 120610760
(2S)-2-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide;dihydrochloride
CID 119842529
3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384868
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide (CID 120612277) is 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide is CN(C)Cc1cccc(CNC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is NLWJXUASESGRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22(2)14-16-7-5-6-15(12-16)13-21-19(23)11-10-17-8-3-4-9-18(17)20/h3-9,12H,10-11,13-14,20H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 2.58, 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-[(dimethylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 120612277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).