2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide

C13H21N3O — CID 43458316

IUPAC2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-4-15-13(17)10(2)16(3)9-11-5-7-12(14)8-6-11/h5-8,10H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyZDMHGROKJZFSSW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds5

About 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide

2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide (PubChem CID 43458316) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
PubChem CID43458316
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-4-15-13(17)10(2)16(3)9-11-5-7-12(14)8-6-11/h5-8,10H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyZDMHGROKJZFSSW-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
CID 43383877
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-ethylpropanamide
CID 43460140
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
2-[(4-aminophenyl)methyl-ethylamino]-N-butylpropanamide
CID 43458901
2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
4-[[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 60978207
(2S)-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594903
2-[(4-bromophenyl)methyl-methylamino]-N-prop-2-ynylpropanamide
CID 47145310
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide (CID 43458316) is 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide is CCNC(=O)C(C)N(C)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
The InChIKey is ZDMHGROKJZFSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-15-13(17)10(2)16(3)9-11-5-7-12(14)8-6-11/h5-8,10H,4,9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 43458316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).