1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine

C12H15F2N — CID 117301569

IUPAC1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(C(F)F)c2)CC1
InChIInChI=1S/C12H15F2N/c1-8(15)12(5-6-12)10-4-2-3-9(7-10)11(13)14/h2-4,7-8,11H,5-6,15H2,1H3
InChIKeyFZCARNUPKBUWDS-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.00
Rot. Bonds3

About 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117301569) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117301569
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(C(F)F)c2)CC1
InChIInChI=1S/C12H15F2N/c1-8(15)12(5-6-12)10-4-2-3-9(7-10)11(13)14/h2-4,7-8,11H,5-6,15H2,1H3
InChIKeyFZCARNUPKBUWDS-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 ≤ 500211.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(1-aminoethyl)cyclopropyl]benzonitrile
CID 117280517
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
3-[1-(1-fluoroethyl)cyclopropyl]aniline
CID 84718251
1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
CID 117363303
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine (CID 117301569) is 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(C(F)F)c2)CC1.
What is the InChIKey of 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is FZCARNUPKBUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8(15)12(5-6-12)10-4-2-3-9(7-10)11(13)14/h2-4,7-8,11H,5-6,15H2,1H3.
What are the key properties of 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 211.26 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 1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117301569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).