2-[1-(4-methoxyphenyl)ethylamino]benzoic acid

C16H17NO3 — CID 43322114

IUPAC2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(C(C)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-11(12-7-9-13(20-2)10-8-12)17-15-6-4-3-5-14(15)16(18)19/h3-11,17H,1-2H3,(H,18,19)
InChIKeyQJAKKHPVGVRHDU-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid

2-[1-(4-methoxyphenyl)ethylamino]benzoic acid (PubChem CID 43322114) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
PubChem CID43322114
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(C(C)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-11(12-7-9-13(20-2)10-8-12)17-15-6-4-3-5-14(15)16(18)19/h3-11,17H,1-2H3,(H,18,19)
InChIKeyQJAKKHPVGVRHDU-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 79516673
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
2-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43139536
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
4-fluoro-3-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43728187
3-fluoro-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid (CID 43322114) is 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid is COc1ccc(C(C)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The InChIKey is QJAKKHPVGVRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(12-7-9-13(20-2)10-8-12)17-15-6-4-3-5-14(15)16(18)19/h3-11,17H,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43322114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).