N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline

C16H23F3N2 — CID 106620669

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCC(C)CN(CC1CCCN1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-12(2)10-21(11-13-6-5-9-20-13)15-8-4-3-7-14(15)16(17,18)19/h3-4,7-8,12-13,20H,5-6,9-11H2,1-2H3
InChIKeyGXMMGEVFSCMUKT-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.92
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 106620669) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID106620669
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCC(C)CN(CC1CCCN1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-12(2)10-21(11-13-6-5-9-20-13)15-8-4-3-7-14(15)16(17,18)19/h3-4,7-8,12-13,20H,5-6,9-11H2,1-2H3
InChIKeyGXMMGEVFSCMUKT-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106620644
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
CID 106620751
2-bromo-3-fluoro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 107537803
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 106620669) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline is CC(C)CN(CC1CCCN1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is GXMMGEVFSCMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(2)10-21(11-13-6-5-9-20-13)15-8-4-3-7-14(15)16(17,18)19/h3-4,7-8,12-13,20H,5-6,9-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 300.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 106620669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).