4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid

C15H20FNO2 — CID 116953971

IUPAC4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCNC(c1ccccc1F)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-17-14(12-4-2-3-5-13(12)16)10-6-8-11(9-7-10)15(18)19/h2-5,10-11,14,17H,6-9H2,1H3,(H,18,19)
InChIKeyJDZDTYAQMMHGNX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.98
Rot. Bonds4

About 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid

4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 116953971) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID116953971
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCNC(c1ccccc1F)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-17-14(12-4-2-3-5-13(12)16)10-6-8-11(9-7-10)15(18)19/h2-5,10-11,14,17H,6-9H2,1H3,(H,18,19)
InChIKeyJDZDTYAQMMHGNX-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938812
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(2,2-dimethylcyclopropyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 107004239
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001950
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959735
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid (CID 116953971) is 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid is CNC(c1ccccc1F)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JDZDTYAQMMHGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17-14(12-4-2-3-5-13(12)16)10-6-8-11(9-7-10)15(18)19/h2-5,10-11,14,17H,6-9H2,1H3,(H,18,19).
What are the key properties of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116953971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).