4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline

C15H20F4N2 — CID 115053482

IUPAC4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCC(C)(F)c1ccc(NCC2CCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-14(2,16)10-5-6-13(12(8-10)15(17,18)19)21-9-11-4-3-7-20-11/h5-6,8,11,20-21H,3-4,7,9H2,1-2H3
InChIKeyGMMNDAYXMXNQQC-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.07
Rot. Bonds4

About 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline

4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 115053482) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID115053482
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCC(C)(F)c1ccc(NCC2CCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-14(2,16)10-5-6-13(12(8-10)15(17,18)19)21-9-11-4-3-7-20-11/h5-6,8,11,20-21H,3-4,7,9H2,1-2H3
InChIKeyGMMNDAYXMXNQQC-UHFFFAOYSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 103693086
4-(difluoromethyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053274
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 17389755
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638789
4-nitro-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62539886
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
2-bromo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708929

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 115053482) is 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline is CC(C)(F)c1ccc(NCC2CCCN2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is GMMNDAYXMXNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-14(2,16)10-5-6-13(12(8-10)15(17,18)19)21-9-11-4-3-7-20-11/h5-6,8,11,20-21H,3-4,7,9H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 304.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 115053482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).