1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine

C12H15F2N — CID 83856289

IUPAC1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine
SMILESCC(N)c1cccc(C(F)(F)C2CC2)c1
InChIInChI=1S/C12H15F2N/c1-8(15)9-3-2-4-11(7-9)12(13,14)10-5-6-10/h2-4,7-8,10H,5-6,15H2,1H3
InChIKeyYOTQPJDKNWLYGK-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.21
Rot. Bonds3

About 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine

1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine (PubChem CID 83856289) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine
PubChem CID83856289
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine
SMILESCC(N)c1cccc(C(F)(F)C2CC2)c1
InChIInChI=1S/C12H15F2N/c1-8(15)9-3-2-4-11(7-9)12(13,14)10-5-6-10/h2-4,7-8,10H,5-6,15H2,1H3
InChIKeyYOTQPJDKNWLYGK-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine
CID 116992761
3-[cyclopropyl(difluoro)methyl]aniline
CID 83855657
3-[cyclohexyl(difluoro)methyl]aniline
CID 116840035
[2-[3-[(1R)-1-aminoethyl]phenyl]-2,2-difluoroethyl] formate
CID 175863162
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
CID 88556046
CID 88556046
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine?
The IUPAC name of 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine (CID 83856289) is 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine is CC(N)c1cccc(C(F)(F)C2CC2)c1.
What is the InChIKey of 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine?
The InChIKey is YOTQPJDKNWLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8(15)9-3-2-4-11(7-9)12(13,14)10-5-6-10/h2-4,7-8,10H,5-6,15H2,1H3.
What are the key properties of 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine?
1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine is sourced from PubChem (CID 83856289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).