N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide

C13H21N3O — CID 16779439

IUPACN-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)10-13(17)15-12-7-5-6-11(8-12)9-14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKeyFEOSDSUZTASOBH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.43
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide

N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide (PubChem CID 16779439) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
PubChem CID16779439
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)10-13(17)15-12-7-5-6-11(8-12)9-14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKeyFEOSDSUZTASOBH-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-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide (CID 16779439) is N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide?
The InChIKey is FEOSDSUZTASOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(4-2)10-13(17)15-12-7-5-6-11(8-12)9-14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide?
N-[3-(aminomethyl)phenyl]-2-(diethylamino)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-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 16779439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).