N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide

C13H21N3O — CID 43270948

IUPACN-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)Nc1ccccc1CN
InChIInChI=1S/C13H21N3O/c1-3-8-16(2)10-13(17)15-12-7-5-4-6-11(12)9-14/h4-7H,3,8-10,14H2,1-2H3,(H,15,17)
InChIKeySESODQTXARIRBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide

N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide (PubChem CID 43270948) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
PubChem CID43270948
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)Nc1ccccc1CN
InChIInChI=1S/C13H21N3O/c1-3-8-16(2)10-13(17)15-12-7-5-4-6-11(12)9-14/h4-7H,3,8-10,14H2,1-2H3,(H,15,17)
InChIKeySESODQTXARIRBR-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
N-(2-benzylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880689
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide (CID 43270948) is N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide is CCCN(C)CC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
The InChIKey is SESODQTXARIRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-8-16(2)10-13(17)15-12-7-5-4-6-11(12)9-14/h4-7H,3,8-10,14H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide is sourced from PubChem (CID 43270948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).