2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid

C16H18N2O3 — CID 66195282

IUPAC2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(C(C)Nc2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,17H2,1-2H3,(H,19,20)
InChIKeyIBNNVCUZJPSWDJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.15
Rot. Bonds5

About 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid

2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid (PubChem CID 66195282) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
PubChem CID66195282
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(C(C)Nc2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,17H2,1-2H3,(H,19,20)
InChIKeyIBNNVCUZJPSWDJ-UHFFFAOYSA-N
XLogP3.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
2-bromo-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 107282164
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
CID 60989949
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid (CID 66195282) is 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid is COc1ccc(C(C)Nc2ccc(N)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The InChIKey is IBNNVCUZJPSWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 66195282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).