2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide

C13H21N3O — CID 174608104

IUPAC2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O/c1-16(2)13(17)10-15-8-7-11-3-5-12(9-14)6-4-11/h3-6,15H,7-10,14H2,1-2H3
InChIKeyOBHGDEQXQQFXLY-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.37
Rot. Bonds6

About 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide

2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide (PubChem CID 174608104) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide
PubChem CID174608104
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O/c1-16(2)13(17)10-15-8-7-11-3-5-12(9-14)6-4-11/h3-6,15H,7-10,14H2,1-2H3
InChIKeyOBHGDEQXQQFXLY-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
CID 43310982
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
CID 109002833
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 43214630
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348
2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide
CID 25166880
N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683221
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide (CID 174608104) is 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCCc1ccc(CN)cc1.
What is the InChIKey of 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
The InChIKey is OBHGDEQXQQFXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)13(17)10-15-8-7-11-3-5-12(9-14)6-4-11/h3-6,15H,7-10,14H2,1-2H3.
What are the key properties of 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide has a molecular weight of 235.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 174608104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).