2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine

C12H15F2N — CID 105406402

IUPAC2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-7-2-11(7)12(15)5-8-3-9(13)6-10(14)4-8/h3-4,6-7,11-12H,2,5,15H2,1H3
InChIKeyMZDXHCYNJNTBAA-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.49
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine

2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine (PubChem CID 105406402) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
PubChem CID105406402
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCC1CC1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-7-2-11(7)12(15)5-8-3-9(13)6-10(14)4-8/h3-4,6-7,11-12H,2,5,15H2,1H3
InChIKeyMZDXHCYNJNTBAA-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
CID 63862912
2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 105406187
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethanamine
CID 86587041
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65189712
1-(2-methylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65421698
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine (CID 105406402) is 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine is CC1CC1C(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is MZDXHCYNJNTBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-7-2-11(7)12(15)5-8-3-9(13)6-10(14)4-8/h3-4,6-7,11-12H,2,5,15H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine?
2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 105406402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).