propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate

C13H18ClNO2 — CID 54940311

IUPACpropan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
SMILESCC(C)OC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-10(2)17-13(16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyBCZJVSKYUWDBLM-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.72
Rot. Bonds5

About propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate

propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate (PubChem CID 54940311) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
PubChem CID54940311
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Namepropan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
SMILESCC(C)OC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-10(2)17-13(16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyBCZJVSKYUWDBLM-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
CID 54940308
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724
propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate
CID 174550772
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate?
The IUPAC name of propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate (CID 54940311) is propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate is CC(C)OC(=O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate?
The InChIKey is BCZJVSKYUWDBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(2)17-13(16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate?
propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate has a molecular weight of 255.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 54940311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).