2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline

C14H20F2N2 — CID 115054195

IUPAC2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
SMILESCC(F)c1ccc(NCCC2CCNC2)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-10(15)12-2-3-14(13(16)8-12)18-7-5-11-4-6-17-9-11/h2-3,8,10-11,17-18H,4-7,9H2,1H3
InChIKeyPUDANTPJFOQKCX-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.27
Rot. Bonds5

About 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline

2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline (PubChem CID 115054195) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
PubChem CID115054195
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
SMILESCC(F)c1ccc(NCCC2CCNC2)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-10(15)12-2-3-14(13(16)8-12)18-7-5-11-4-6-17-9-11/h2-3,8,10-11,17-18H,4-7,9H2,1H3
InChIKeyPUDANTPJFOQKCX-UHFFFAOYSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054197
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
CID 115053478
4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054208
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623074
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335
2-chloro-5-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210629
5-methyl-2-(2-pyrrolidin-3-ylethylamino)benzonitrile
CID 107931573
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-4,5-dihydroimidazol-2-amine
CID 115034739
3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
CID 83912664
2,4-dinitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622156

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline?
The IUPAC name of 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline (CID 115054195) is 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline?
The canonical SMILES for 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline is CC(F)c1ccc(NCCC2CCNC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline?
The InChIKey is PUDANTPJFOQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(15)12-2-3-14(13(16)8-12)18-7-5-11-4-6-17-9-11/h2-3,8,10-11,17-18H,4-7,9H2,1H3.
What are the key properties of 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline?
2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline has a molecular weight of 254.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline is sourced from PubChem (CID 115054195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).