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

C12H14FNO2 — CID 116958196

IUPAC1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1cccc(F)c1)C1(C(=O)O)CC1
InChIInChI=1S/C12H14FNO2/c1-14-10(12(5-6-12)11(15)16)8-3-2-4-9(13)7-8/h2-4,7,10,14H,5-6H2,1H3,(H,15,16)
InChIKeyJQGZVQBUODVEMV-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.95
Rot. Bonds4

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

1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116958196) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116958196
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1cccc(F)c1)C1(C(=O)O)CC1
InChIInChI=1S/C12H14FNO2/c1-14-10(12(5-6-12)11(15)16)8-3-2-4-9(13)7-8/h2-4,7,10,14H,5-6H2,1H3,(H,15,16)
InChIKeyJQGZVQBUODVEMV-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[methylamino-(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116958178
methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116912777
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
2-[(3-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959736
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984631
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
3-[(2,5-difluorophenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959359
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (CID 116958196) is 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is CNC(c1cccc(F)c1)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JQGZVQBUODVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-10(12(5-6-12)11(15)16)8-3-2-4-9(13)7-8/h2-4,7,10,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116958196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).