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

C15H20F4N2 — CID 115053478

IUPAC4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
SMILESCC(F)c1ccc(NCCC2CCNC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-10(16)12-2-3-14(13(8-12)15(17,18)19)21-7-5-11-4-6-20-9-11/h2-3,8,10-11,20-21H,4-7,9H2,1H3
InChIKeyOLOUGHBHBXSPCP-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.15
Rot. Bonds5

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

4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline (PubChem CID 115053478) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
PubChem CID115053478
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
SMILESCC(F)c1ccc(NCCC2CCNC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-10(16)12-2-3-14(13(8-12)15(17,18)19)21-7-5-11-4-6-20-9-11/h2-3,8,10-11,20-21H,4-7,9H2,1H3
InChIKeyOLOUGHBHBXSPCP-UHFFFAOYSA-N
XLogP4.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
2-bromo-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054197
4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054208
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099
4-(difluoromethyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053274
N-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 115053273
5-methyl-2-(2-pyrrolidin-3-ylethylamino)benzonitrile
CID 107931573
N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404787
N-(cycloheptylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404785
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline (CID 115053478) is 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline is CC(F)c1ccc(NCCC2CCNC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline?
The InChIKey is OLOUGHBHBXSPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-10(16)12-2-3-14(13(8-12)15(17,18)19)21-7-5-11-4-6-20-9-11/h2-3,8,10-11,20-21H,4-7,9H2,1H3.
What are the key properties of 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline?
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline has a molecular weight of 304.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 115053478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).