2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide

C10H14ClN3O — CID 62495000

IUPAC2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
SMILESCN(CC(N)=O)c1ccc(Cl)cc1CN
InChIInChI=1S/C10H14ClN3O/c1-14(6-10(13)15)9-3-2-8(11)4-7(9)5-12/h2-4H,5-6,12H2,1H3,(H2,13,15)
InChIKeyNROXWHCRLZDQGS-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.72
Rot. Bonds4

About 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide

2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide (PubChem CID 62495000) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
PubChem CID62495000
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
SMILESCN(CC(N)=O)c1ccc(Cl)cc1CN
InChIInChI=1S/C10H14ClN3O/c1-14(6-10(13)15)9-3-2-8(11)4-7(9)5-12/h2-4H,5-6,12H2,1H3,(H2,13,15)
InChIKeyNROXWHCRLZDQGS-UHFFFAOYSA-N
XLogP0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
CID 62923094
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62493136
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide (CID 62495000) is 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide is CN(CC(N)=O)c1ccc(Cl)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide?
The InChIKey is NROXWHCRLZDQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(6-10(13)15)9-3-2-8(11)4-7(9)5-12/h2-4H,5-6,12H2,1H3,(H2,13,15).
What are the key properties of 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide?
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide has a molecular weight of 227.69 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide is sourced from PubChem (CID 62495000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).