2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine

C12H15ClFN — CID 107884841

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFN/c1-7-4-9(7)12(15)6-8-2-3-10(13)11(14)5-8/h2-3,5,7,9,12H,4,6,15H2,1H3
InChIKeyMADWRDPXKMSGPS-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine (PubChem CID 107884841) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
PubChem CID107884841
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFN/c1-7-4-9(7)12(15)6-8-2-3-10(13)11(14)5-8/h2-3,5,7,9,12H,4,6,15H2,1H3
InChIKeyMADWRDPXKMSGPS-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 105406402
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
2-(4-chloro-3-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 107884977
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine (CID 107884841) is 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine is CC1CC1C(N)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is MADWRDPXKMSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-7-4-9(7)12(15)6-8-2-3-10(13)11(14)5-8/h2-3,5,7,9,12H,4,6,15H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 107884841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).