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

C13H16FNO2 — CID 115221637

IUPAC2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNCCc1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-9(2-4-11)5-6-15-8-10-7-12(10)13(16)17/h1-4,10,12,15H,5-8H2,(H,16,17)
InChIKeyJNZXDEXVNQWTSG-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.68
Rot. Bonds6

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

2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221637) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221637
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNCCc1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-9(2-4-11)5-6-15-8-10-7-12(10)13(16)17/h1-4,10,12,15H,5-8H2,(H,16,17)
InChIKeyJNZXDEXVNQWTSG-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.68
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)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 69111923
3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63790115
2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221686
2-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221646
2-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131138
2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 81009457
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid (CID 115221637) is 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CNCCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JNZXDEXVNQWTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-3-1-9(2-4-11)5-6-15-8-10-7-12(10)13(16)17/h1-4,10,12,15H,5-8H2,(H,16,17).
What are the key properties of 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid?
2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).