2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid

C16H16ClNO3 — CID 106262540

IUPAC2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccccc1CCNc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C16H16ClNO3/c1-21-14-8-3-2-5-11(14)9-10-18-13-7-4-6-12(17)15(13)16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyLVJABCBDGQCIAD-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.70
Rot. Bonds6

About 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid

2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid (PubChem CID 106262540) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
PubChem CID106262540
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccccc1CCNc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C16H16ClNO3/c1-21-14-8-3-2-5-11(14)9-10-18-13-7-4-6-12(17)15(13)16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyLVJABCBDGQCIAD-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid
CID 68729657
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid (CID 106262540) is 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid is COc1ccccc1CCNc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid?
The InChIKey is LVJABCBDGQCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-21-14-8-3-2-5-11(14)9-10-18-13-7-4-6-12(17)15(13)16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid?
2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid has a molecular weight of 305.76 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 106262540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).