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

C10H14ClN3O — CID 63088172

IUPAC2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
SMILESCN(CC(N)=O)c1ccc(CN)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(6-10(13)15)9-3-2-7(5-12)4-8(9)11/h2-4H,5-6,12H2,1H3,(H2,13,15)
InChIKeyWVBMWGWBRJKPSV-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.72
Rot. Bonds4

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

2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide (PubChem CID 63088172) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
PubChem CID63088172
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
SMILESCN(CC(N)=O)c1ccc(CN)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(6-10(13)15)9-3-2-7(5-12)4-8(9)11/h2-4H,5-6,12H2,1H3,(H2,13,15)
InChIKeyWVBMWGWBRJKPSV-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 ≤ 500227.70
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline
CID 81052953
4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81052956
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63088341
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
CID 115554562
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
2-[2-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]anilino]acetamide
CID 81144344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide (CID 63088172) is 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide is CN(CC(N)=O)c1ccc(CN)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide?
The InChIKey is WVBMWGWBRJKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(6-10(13)15)9-3-2-7(5-12)4-8(9)11/h2-4H,5-6,12H2,1H3,(H2,13,15).
What are the key properties of 2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide?
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide has a molecular weight of 227.70 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-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide is sourced from PubChem (CID 63088172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).