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

C17H24FNO2 — CID 104964080

IUPAC4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC(NCC1CCC(C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-2-16(14-5-3-4-6-15(14)18)19-11-12-7-9-13(10-8-12)17(20)21/h3-6,12-13,16,19H,2,7-11H2,1H3,(H,20,21)
InChIKeyWJRNCCTXCVICPW-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.76
Rot. Bonds6

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

4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104964080) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104964080
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC(NCC1CCC(C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-2-16(14-5-3-4-6-15(14)18)19-11-12-7-9-13(10-8-12)17(20)21/h3-6,12-13,16,19H,2,7-11H2,1H3,(H,20,21)
InChIKeyWJRNCCTXCVICPW-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115755868
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine
CID 99717553
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
4-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529940
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 112634293
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 115994404

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid (CID 104964080) is 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid is CCC(NCC1CCC(C(=O)O)CC1)c1ccccc1F.
What is the InChIKey of 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WJRNCCTXCVICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-16(14-5-3-4-6-15(14)18)19-11-12-7-9-13(10-8-12)17(20)21/h3-6,12-13,16,19H,2,7-11H2,1H3,(H,20,21).
What are the key properties of 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104964080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).