2-[benzyl(methyl)amino]acetyl chloride

C10H12ClNO — CID 39254606

IUPAC2-[benzyl(methyl)amino]acetyl chloride
SMILESCN(CC(=O)Cl)Cc1ccccc1
InChIInChI=1S/C10H12ClNO/c1-12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCQDCMTDDVIPKLZ-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.88
Rot. Bonds4

About 2-[benzyl(methyl)amino]acetyl chloride

2-[benzyl(methyl)amino]acetyl chloride (PubChem CID 39254606) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]acetyl chloride
PubChem CID39254606
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-[benzyl(methyl)amino]acetyl chloride
SMILESCN(CC(=O)Cl)Cc1ccccc1
InChIInChI=1S/C10H12ClNO/c1-12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCQDCMTDDVIPKLZ-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-[benzyl(methyl)amino]-1-[methyl(methylidene)-λ4-sulfanyl]ethanone
CID 163563150
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
CID 8900979
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 86861731
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]acetyl chloride?
The IUPAC name of 2-[benzyl(methyl)amino]acetyl chloride (CID 39254606) is 2-[benzyl(methyl)amino]acetyl chloride.
What is the SMILES notation for 2-[benzyl(methyl)amino]acetyl chloride?
The canonical SMILES for 2-[benzyl(methyl)amino]acetyl chloride is CN(CC(=O)Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]acetyl chloride?
The InChIKey is CQDCMTDDVIPKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]acetyl chloride?
2-[benzyl(methyl)amino]acetyl chloride has a molecular weight of 197.67 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]acetyl chloride is sourced from PubChem (CID 39254606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).