2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline

C15H22ClFN2 — CID 115054202

IUPAC2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
SMILESCC(C)(F)c1ccc(NCCC2CCNC2)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-15(2,17)12-3-4-14(13(16)9-12)19-8-6-11-5-7-18-10-11/h3-4,9,11,18-19H,5-8,10H2,1-2H3
InChIKeyXVSASFZWBJTMCC-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline

2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline (PubChem CID 115054202) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
PubChem CID115054202
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
SMILESCC(C)(F)c1ccc(NCCC2CCNC2)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-15(2,17)12-3-4-14(13(16)9-12)19-8-6-11-5-7-18-10-11/h3-4,9,11,18-19H,5-8,10H2,1-2H3
InChIKeyXVSASFZWBJTMCC-UHFFFAOYSA-N
XLogP3.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
2-chloro-5-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210629
2-chloro-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622331
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
CID 115053478
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535702
2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242
2-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208589
2-bromo-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054197
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline?
The IUPAC name of 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline (CID 115054202) is 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline is CC(C)(F)c1ccc(NCCC2CCNC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline?
The InChIKey is XVSASFZWBJTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-15(2,17)12-3-4-14(13(16)9-12)19-8-6-11-5-7-18-10-11/h3-4,9,11,18-19H,5-8,10H2,1-2H3.
What are the key properties of 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline?
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline has a molecular weight of 284.81 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline is sourced from PubChem (CID 115054202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).