3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine

C13H17F2N — CID 83155125

IUPAC3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
SMILESCC(C(N)Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H17F2N/c1-8(10-3-4-10)13(16)7-9-2-5-11(14)12(15)6-9/h2,5-6,8,10,13H,3-4,7,16H2,1H3
InChIKeyPDSBNXWMSRLUKW-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.88
Rot. Bonds4

About 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine

3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine (PubChem CID 83155125) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
PubChem CID83155125
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
SMILESCC(C(N)Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H17F2N/c1-8(10-3-4-10)13(16)7-9-2-5-11(14)12(15)6-9/h2,5-6,8,10,13H,3-4,7,16H2,1H3
InChIKeyPDSBNXWMSRLUKW-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105175997
1-(3,4-difluorophenyl)-3-methylheptan-2-amine
CID 114246498
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
[1-cyclohexyl-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105201895
[2-(3,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233269
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine (CID 83155125) is 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine is CC(C(N)Cc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine?
The InChIKey is PDSBNXWMSRLUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8(10-3-4-10)13(16)7-9-2-5-11(14)12(15)6-9/h2,5-6,8,10,13H,3-4,7,16H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine?
3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine has a molecular weight of 225.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine is sourced from PubChem (CID 83155125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).