[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine

C12H14ClF2NO — CID 122442275

IUPAC[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
SMILESNCC1CC1c1c(OCCF)ccc(F)c1Cl
InChIInChI=1S/C12H14ClF2NO/c13-12-9(15)1-2-10(17-4-3-14)11(12)8-5-7(8)6-16/h1-2,7-8H,3-6,16H2
InChIKeyLIVNCHBFKKLLCJ-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.89
Rot. Bonds5

About [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine

[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine (PubChem CID 122442275) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
PubChem CID122442275
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
SMILESNCC1CC1c1c(OCCF)ccc(F)c1Cl
InChIInChI=1S/C12H14ClF2NO/c13-12-9(15)1-2-10(17-4-3-14)11(12)8-5-7(8)6-16/h1-2,7-8H,3-6,16H2
InChIKeyLIVNCHBFKKLLCJ-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
CID 122442261
[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127029036
[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine
CID 122442268
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733759
[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
CID 94557667
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 62704549
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
[2-[2-[4-[2-(aminomethyl)-3-[5-chloro-2-(2-methoxyethoxy)phenyl]cyclopropyl]-3-methylbutoxy]-5-chlorophenyl]cyclopropyl]methanamine
CID 139469614
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
[2-(2,3-difluoro-6-methoxyphenyl)cyclopropyl]methanol
CID 162341374

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
The IUPAC name of [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine (CID 122442275) is [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine is NCC1CC1c1c(OCCF)ccc(F)c1Cl.
What is the InChIKey of [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
The InChIKey is LIVNCHBFKKLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c13-12-9(15)1-2-10(17-4-3-14)11(12)8-5-7(8)6-16/h1-2,7-8H,3-6,16H2.
What are the key properties of [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine has a molecular weight of 261.70 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 122442275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).