2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid

C17H19NO2 — CID 43737323

IUPAC2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
SMILESCc1ccc(C(C)Nc2cccc(C(=O)O)c2C)cc1
InChIInChI=1S/C17H19NO2/c1-11-7-9-14(10-8-11)13(3)18-16-6-4-5-15(12(16)2)17(19)20/h4-10,13,18H,1-3H3,(H,19,20)
InChIKeySRAZVFMGXCJXFW-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.17
Rot. Bonds4

About 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid

2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid (PubChem CID 43737323) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
PubChem CID43737323
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
SMILESCc1ccc(C(C)Nc2cccc(C(=O)O)c2C)cc1
InChIInChI=1S/C17H19NO2/c1-11-7-9-14(10-8-11)13(3)18-16-6-4-5-15(12(16)2)17(19)20/h4-10,13,18H,1-3H3,(H,19,20)
InChIKeySRAZVFMGXCJXFW-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid
CID 43737282
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 43737318
2-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzoic acid
CID 43789397
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 81281867
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzoic acid
CID 60782030
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
2-chloro-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 62945610
2-[1-(4-bromophenyl)ethylamino]-4-methylbenzoic acid
CID 63513424
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid (CID 43737323) is 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid is Cc1ccc(C(C)Nc2cccc(C(=O)O)c2C)cc1.
What is the InChIKey of 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid?
The InChIKey is SRAZVFMGXCJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-9-14(10-8-11)13(3)18-16-6-4-5-15(12(16)2)17(19)20/h4-10,13,18H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid?
2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43737323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).