1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone

C12H14FNO — CID 116601171

IUPAC1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
SMILESNCC1(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO/c13-10-3-1-9(2-4-10)7-11(15)12(8-14)5-6-12/h1-4H,5-8,14H2
InChIKeyDUXYVKNFARYNDT-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone

1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone (PubChem CID 116601171) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
PubChem CID116601171
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
SMILESNCC1(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO/c13-10-3-1-9(2-4-10)7-11(15)12(8-14)5-6-12/h1-4H,5-8,14H2
InChIKeyDUXYVKNFARYNDT-UHFFFAOYSA-N
XLogP1.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-[1-(aminomethyl)cyclopropyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116601105
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
CID 116600671
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311970
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone (CID 116601171) is 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone is NCC1(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone?
The InChIKey is DUXYVKNFARYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-3-1-9(2-4-10)7-11(15)12(8-14)5-6-12/h1-4H,5-8,14H2.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone?
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone has a molecular weight of 207.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 116601171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).