2,4-difluoro-N-(1-phenylcyclopropyl)aniline

C15H13F2N — CID 82538377

IUPAC2,4-difluoro-N-(1-phenylcyclopropyl)aniline
SMILESFc1ccc(NC2(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C15H13F2N/c16-12-6-7-14(13(17)10-12)18-15(8-9-15)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2
InChIKeyKFXLKOPPXZODCH-UHFFFAOYSA-N
MW245.27 g/mol
LogP4.07
Rot. Bonds3

About 2,4-difluoro-N-(1-phenylcyclopropyl)aniline

2,4-difluoro-N-(1-phenylcyclopropyl)aniline (PubChem CID 82538377) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-phenylcyclopropyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(1-phenylcyclopropyl)aniline
PubChem CID82538377
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name2,4-difluoro-N-(1-phenylcyclopropyl)aniline
SMILESFc1ccc(NC2(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C15H13F2N/c16-12-6-7-14(13(17)10-12)18-15(8-9-15)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2
InChIKeyKFXLKOPPXZODCH-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538352
2-fluoro-5-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538354
2-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538368
N-benzhydryl-2,4-difluoroaniline
CID 82096621
3-fluoro-5-[(1-phenylcyclopentyl)amino]benzoic acid
CID 82538291
4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 110446070
N-(2,4-difluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512842
1-(2,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 83684038
2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 166183250
6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
CID 144936006
2,4-difluoro-N-methylaniline;methane
CID 157160236
2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
CID 6903041

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-phenylcyclopropyl)aniline?
The IUPAC name of 2,4-difluoro-N-(1-phenylcyclopropyl)aniline (CID 82538377) is 2,4-difluoro-N-(1-phenylcyclopropyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(1-phenylcyclopropyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(1-phenylcyclopropyl)aniline is Fc1ccc(NC2(c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-(1-phenylcyclopropyl)aniline?
The InChIKey is KFXLKOPPXZODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N/c16-12-6-7-14(13(17)10-12)18-15(8-9-15)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2.
What are the key properties of 2,4-difluoro-N-(1-phenylcyclopropyl)aniline?
2,4-difluoro-N-(1-phenylcyclopropyl)aniline has a molecular weight of 245.27 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-phenylcyclopropyl)aniline is sourced from PubChem (CID 82538377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).