2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid

C14H19FN2O2 — CID 83215411

IUPAC2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCC(Nc2ccc(F)c(N)c2C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c1-8-2-4-9(5-3-8)17-11-7-6-10(15)13(16)12(11)14(18)19/h6-9,17H,2-5,16H2,1H3,(H,18,19)
InChIKeyCMFPNRAAKBOTDE-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.10
Rot. Bonds3

About 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid

2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid (PubChem CID 83215411) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid
PubChem CID83215411
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid
SMILESCC1CCC(Nc2ccc(F)c(N)c2C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c1-8-2-4-9(5-3-8)17-11-7-6-10(15)13(16)12(11)14(18)19/h6-9,17H,2-5,16H2,1H3,(H,18,19)
InChIKeyCMFPNRAAKBOTDE-UHFFFAOYSA-N
XLogP3.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(4-ethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215667
2-amino-3-fluoro-6-(oxolan-3-ylamino)benzoic acid
CID 83205952
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
CID 83215642
2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 83205945
2-amino-3-fluoro-6-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzoic acid
CID 83206094
2-amino-3-fluoro-6-(hexylamino)benzoic acid
CID 83207621
2-amino-3-fluoro-6-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
CID 83207393
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
2-amino-6-(3,4-dimethylcyclohexyl)oxy-3-fluorobenzoic acid
CID 83214917
3-amino-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101708
5-fluoro-2-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101996

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid?
The IUPAC name of 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid (CID 83215411) is 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid is CC1CCC(Nc2ccc(F)c(N)c2C(=O)O)CC1.
What is the InChIKey of 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid?
The InChIKey is CMFPNRAAKBOTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8-2-4-9(5-3-8)17-11-7-6-10(15)13(16)12(11)14(18)19/h6-9,17H,2-5,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid?
2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid has a molecular weight of 266.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 83215411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).