2-[3-(aminomethyl)anilino]-N-methylacetamide

C10H15N3O — CID 144916665

IUPAC2-[3-(aminomethyl)anilino]-N-methylacetamide
SMILESCNC(=O)CNc1cccc(CN)c1
InChIInChI=1S/C10H15N3O/c1-12-10(14)7-13-9-4-2-3-8(5-9)6-11/h2-5,13H,6-7,11H2,1H3,(H,12,14)
InChIKeyITHZVRPKRPVIMF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.30
Rot. Bonds4

About 2-[3-(aminomethyl)anilino]-N-methylacetamide

2-[3-(aminomethyl)anilino]-N-methylacetamide (PubChem CID 144916665) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[3-(aminomethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)anilino]-N-methylacetamide
PubChem CID144916665
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[3-(aminomethyl)anilino]-N-methylacetamide
SMILESCNC(=O)CNc1cccc(CN)c1
InChIInChI=1S/C10H15N3O/c1-12-10(14)7-13-9-4-2-3-8(5-9)6-11/h2-5,13H,6-7,11H2,1H3,(H,12,14)
InChIKeyITHZVRPKRPVIMF-UHFFFAOYSA-N
XLogP0.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylsulfanylanilino)acetamide
CID 28568297
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
2-[3-(aminomethyl)anilino]propanoic acid
CID 174745837
2-[3-[3-(aminomethyl)benzoyl]anilino]acetic acid
CID 70089675
[3-(aminomethyl)anilino]methanesulfinic acid
CID 174465749
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)anilino]-N-methylacetamide?
The IUPAC name of 2-[3-(aminomethyl)anilino]-N-methylacetamide (CID 144916665) is 2-[3-(aminomethyl)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)anilino]-N-methylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)anilino]-N-methylacetamide is CNC(=O)CNc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)anilino]-N-methylacetamide?
The InChIKey is ITHZVRPKRPVIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-10(14)7-13-9-4-2-3-8(5-9)6-11/h2-5,13H,6-7,11H2,1H3,(H,12,14).
What are the key properties of 2-[3-(aminomethyl)anilino]-N-methylacetamide?
2-[3-(aminomethyl)anilino]-N-methylacetamide has a molecular weight of 193.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 144916665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).