2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid

C11H14ClNO2 — CID 136560023

IUPAC2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
SMILESCc1c(Cl)cccc1CN(C)CC(=O)O
InChIInChI=1S/C11H14ClNO2/c1-8-9(4-3-5-10(8)12)6-13(2)7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyBRWPXMZBRDNNIH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.16
Rot. Bonds4

About 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid

2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid (PubChem CID 136560023) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
PubChem CID136560023
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
SMILESCc1c(Cl)cccc1CN(C)CC(=O)O
InChIInChI=1S/C11H14ClNO2/c1-8-9(4-3-5-10(8)12)6-13(2)7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyBRWPXMZBRDNNIH-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
CID 43442466
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
2-[methyl(pyren-1-ylmethyl)amino]acetic acid
CID 86074148

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid (CID 136560023) is 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid is Cc1c(Cl)cccc1CN(C)CC(=O)O.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid?
The InChIKey is BRWPXMZBRDNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-9(4-3-5-10(8)12)6-13(2)7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid?
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid has a molecular weight of 227.69 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 136560023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).