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

C16H17NO3 — CID 62231026

IUPAC4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(CCNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-20-15-8-2-12(3-9-15)10-11-17-14-6-4-13(5-7-14)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyYPEXTNZUPWIKDG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.05
Rot. Bonds6

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

4-[2-(4-methoxyphenyl)ethylamino]benzoic acid (PubChem CID 62231026) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
PubChem CID62231026
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(CCNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-20-15-8-2-12(3-9-15)10-11-17-14-6-4-13(5-7-14)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyYPEXTNZUPWIKDG-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
anisole;4-[2-(ethylamino)ethyl]benzoic acid
CID 174444655
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056
4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
CID 9012740
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
methyl 4-(2-phenylethylamino)benzoate
CID 43217242

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid (CID 62231026) is 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid is COc1ccc(CCNc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
The InChIKey is YPEXTNZUPWIKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-15-8-2-12(3-9-15)10-11-17-14-6-4-13(5-7-14)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid?
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 62231026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).