2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid

C14H18FNO2 — CID 115221720

IUPAC2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CCc1cccc(F)c1)CC1CC1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-16(9-11-8-13(11)14(17)18)6-5-10-3-2-4-12(15)7-10/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyYKGULENNGTYRAO-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.02
Rot. Bonds6

About 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid

2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221720) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221720
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CCc1cccc(F)c1)CC1CC1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-16(9-11-8-13(11)14(17)18)6-5-10-3-2-4-12(15)7-10/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyYKGULENNGTYRAO-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240285
trans-(1R,2S)-2-[[[2-(3-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 154807680
2-[[3-(3-fluorophenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110009639
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
2-[(2,4-difluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221405
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
2-[(3-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020336
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
trans-(1S,2S)-2-[1-amino-1-carboxy-3-(3-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 10707942
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid (CID 115221720) is 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid is CN(CCc1cccc(F)c1)CC1CC1C(=O)O.
What is the InChIKey of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YKGULENNGTYRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(9-11-8-13(11)14(17)18)6-5-10-3-2-4-12(15)7-10/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid?
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).