2-[(2-chloro-4-methylphenyl)methylamino]acetic acid

C10H12ClNO2 — CID 106865112

IUPAC2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
SMILESCc1ccc(CNCC(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(9(11)4-7)5-12-6-10(13)14/h2-4,12H,5-6H2,1H3,(H,13,14)
InChIKeyRZSAQZSXQUAJKP-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.82
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid

2-[(2-chloro-4-methylphenyl)methylamino]acetic acid (PubChem CID 106865112) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
PubChem CID106865112
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
SMILESCc1ccc(CNCC(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(9(11)4-7)5-12-6-10(13)14/h2-4,12H,5-6H2,1H3,(H,13,14)
InChIKeyRZSAQZSXQUAJKP-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
4-[(2-chloro-4-methylphenyl)methylamino]butanamide
CID 106862371
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid (CID 106865112) is 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid is Cc1ccc(CNCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid?
The InChIKey is RZSAQZSXQUAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7-2-3-8(9(11)4-7)5-12-6-10(13)14/h2-4,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid?
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid has a molecular weight of 213.66 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methylamino]acetic acid is sourced from PubChem (CID 106865112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).