N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline

C14H19F3N2 — CID 175854724

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCN(CC1CCCN1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-18-9-3-4-13(18)10-19(2)12-7-5-11(6-8-12)14(15,16)17/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyYZTNWBIIZZGYCH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.24
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 175854724) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID175854724
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCN(CC1CCCN1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-18-9-3-4-13(18)10-19(2)12-7-5-11(6-8-12)14(15,16)17/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyYZTNWBIIZZGYCH-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
3-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 79319739
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651
N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 29208508
5-fluoro-3-N-methyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 79304677
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline (CID 175854724) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline is CN(CC1CCCN1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is YZTNWBIIZZGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-18-9-3-4-13(18)10-19(2)12-7-5-11(6-8-12)14(15,16)17/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 175854724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).