methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate

C15H20FNO2 — CID 43715386

IUPACmethyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
SMILESCOC(=O)c1cc(NC2CCCC(C)C2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-4-3-5-11(8-10)17-12-6-7-14(16)13(9-12)15(18)19-2/h6-7,9-11,17H,3-5,8H2,1-2H3
InChIKeyHLFMDVCLEKWKPV-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.60
Rot. Bonds3

About methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate

methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate (PubChem CID 43715386) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
PubChem CID43715386
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
SMILESCOC(=O)c1cc(NC2CCCC(C)C2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-4-3-5-11(8-10)17-12-6-7-14(16)13(9-12)15(18)19-2/h6-7,9-11,17H,3-5,8H2,1-2H3
InChIKeyHLFMDVCLEKWKPV-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(3-cyclopropylcyclohexyl)amino]-2-fluorobenzoate
CID 64596414
methyl 2-fluoro-5-[(3-propan-2-ylcyclohexyl)amino]benzoate
CID 107448128
methyl 5-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoate
CID 64734532
methyl 2,4-difluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43731418
methyl 2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoate
CID 106593918
methyl 5-[(4-aminocyclohexyl)amino]-2-fluorobenzoate
CID 79730467
methyl 5-[(1,1-dioxothian-4-yl)amino]-2-fluorobenzoate
CID 43715483
methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
CID 54864154
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
methyl 2-amino-5-[(3,5-dimethylcyclohexyl)amino]benzoate
CID 64731768
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate (CID 43715386) is methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate is COC(=O)c1cc(NC2CCCC(C)C2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate?
The InChIKey is HLFMDVCLEKWKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-4-3-5-11(8-10)17-12-6-7-14(16)13(9-12)15(18)19-2/h6-7,9-11,17H,3-5,8H2,1-2H3.
What are the key properties of methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate?
methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate has a molecular weight of 265.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate is sourced from PubChem (CID 43715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).