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

C11H13F2N — CID 55272126

IUPAC2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
SMILESNC(CC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2N/c12-9-4-8(5-10(13)6-9)11(14)3-7-1-2-7/h4-7,11H,1-3,14H2
InChIKeyOTZRLNMZSOKHHQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.76
Rot. Bonds3

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

2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine (PubChem CID 55272126) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
PubChem CID55272126
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
SMILESNC(CC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2N/c12-9-4-8(5-10(13)6-9)11(14)3-7-1-2-7/h4-7,11H,1-3,14H2
InChIKeyOTZRLNMZSOKHHQ-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
CID 130657885
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
CID 130820768
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
2-cyclopropyl-1-(2-fluoro-4-pyridinyl)ethanamine
CID 55292884
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine (CID 55272126) is 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine is NC(CC1CC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is OTZRLNMZSOKHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-9-4-8(5-10(13)6-9)11(14)3-7-1-2-7/h4-7,11H,1-3,14H2.
What are the key properties of 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 55272126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).