2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide

C15H25N3O — CID 61490250

IUPAC2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)Cc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-4-7-12(2)17-15(19)11-18(3)10-13-8-5-6-9-14(13)16/h5-6,8-9,12H,4,7,10-11,16H2,1-3H3,(H,17,19)
InChIKeyLWFOCVLKCNSGKK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.01
Rot. Bonds7

About 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide

2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide (PubChem CID 61490250) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
PubChem CID61490250
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)Cc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-4-7-12(2)17-15(19)11-18(3)10-13-8-5-6-9-14(13)16/h5-6,8-9,12H,4,7,10-11,16H2,1-3H3,(H,17,19)
InChIKeyLWFOCVLKCNSGKK-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide 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

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
CID 61489764
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756
2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate
CID 61320700
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
CID 83041260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide (CID 61490250) is 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(C)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide?
The InChIKey is LWFOCVLKCNSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-12(2)17-15(19)11-18(3)10-13-8-5-6-9-14(13)16/h5-6,8-9,12H,4,7,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide?
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61490250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).