2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid

C17H17NO2 — CID 81281627

IUPAC2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid
SMILESCc1cc(NC2CC2c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H17NO2/c1-11-9-13(7-8-14(11)17(19)20)18-16-10-15(16)12-5-3-2-4-6-12/h2-9,15-16,18H,10H2,1H3,(H,19,20)
InChIKeyNADOLTAZZYHEFQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid

2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid (PubChem CID 81281627) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid
PubChem CID81281627
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid
SMILESCc1cc(NC2CC2c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H17NO2/c1-11-9-13(7-8-14(11)17(19)20)18-16-10-15(16)12-5-3-2-4-6-12/h2-9,15-16,18H,10H2,1H3,(H,19,20)
InChIKeyNADOLTAZZYHEFQ-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid
CID 115485226
2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541219
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid
CID 81282707
4-[(1,1-dioxothian-4-yl)amino]-2-methylbenzoic acid
CID 81282018
3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
CID 80517888
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
5-amino-1-ethyl-4-oxo-7-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carboxylic acid
CID 167360952
N-(3-fluorophenyl)-3-[(2-phenylcyclopropyl)amino]benzamide
CID 164589748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid?
The IUPAC name of 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid (CID 81281627) is 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid is Cc1cc(NC2CC2c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid?
The InChIKey is NADOLTAZZYHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-9-13(7-8-14(11)17(19)20)18-16-10-15(16)12-5-3-2-4-6-12/h2-9,15-16,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid?
2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid is sourced from PubChem (CID 81281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).