1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid

C15H20FNO2 — CID 69111923

IUPAC1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1CNCCc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-2-15(14(18)19)9-12(15)10-17-8-7-11-3-5-13(16)6-4-11/h3-6,12,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyXWIDIQABSLJUKD-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.46
Rot. Bonds7

About 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid

1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 69111923) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID69111923
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1CNCCc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-2-15(14(18)19)9-12(15)10-17-8-7-11-3-5-13(16)6-4-11/h3-6,12,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyXWIDIQABSLJUKD-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221637
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
3-[2-(4-fluorophenyl)ethylamino]-2-methylpropanoic acid
CID 43538395
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
4-[2-(4-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220862
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
2-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131138
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid (CID 69111923) is 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid is CCC1(C(=O)O)CC1CNCCc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XWIDIQABSLJUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-15(14(18)19)9-12(15)10-17-8-7-11-3-5-13(16)6-4-11/h3-6,12,17H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 69111923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).