2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid

C11H15ClN2O2 — CID 117013506

IUPAC2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
SMILESCc1ccc(Cl)cc1N(CCN)CC(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-8-2-3-9(12)6-10(8)14(5-4-13)7-11(15)16/h2-3,6H,4-5,7,13H2,1H3,(H,15,16)
InChIKeySQBIMZCPLQFIRC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.50
Rot. Bonds5

About 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid

2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid (PubChem CID 117013506) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
PubChem CID117013506
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
SMILESCc1ccc(Cl)cc1N(CCN)CC(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-8-2-3-9(12)6-10(8)14(5-4-13)7-11(15)16/h2-3,6H,4-5,7,13H2,1H3,(H,15,16)
InChIKeySQBIMZCPLQFIRC-UHFFFAOYSA-N
XLogP1.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
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2-[5-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135370
2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide
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2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
CID 88560810
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
CID 28772754
2-[N-[2-(dimethylamino)ethyl]-2-methyl-5-nitroanilino]acetic acid
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2-(2-methyl-N-propylanilino)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid?
The IUPAC name of 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid (CID 117013506) is 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid is Cc1ccc(Cl)cc1N(CCN)CC(=O)O.
What is the InChIKey of 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid?
The InChIKey is SQBIMZCPLQFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-2-3-9(12)6-10(8)14(5-4-13)7-11(15)16/h2-3,6H,4-5,7,13H2,1H3,(H,15,16).
What are the key properties of 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid?
2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid has a molecular weight of 242.71 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid is sourced from PubChem (CID 117013506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).