1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C12H15F3N2 — CID 118271900

IUPAC1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCN1CC(N)C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2/c1-17-6-9(11(16)7-17)8-4-2-3-5-10(8)12(13,14)15/h2-5,9,11H,6-7,16H2,1H3
InChIKeyWKPYUKGDCNTYKE-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 118271900) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID118271900
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCN1CC(N)C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2/c1-17-6-9(11(16)7-17)8-4-2-3-5-10(8)12(13,14)15/h2-5,9,11H,6-7,16H2,1H3
InChIKeyWKPYUKGDCNTYKE-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 96614035
(3R,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124675407
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013823
tert-butyl (3S,4R)-3-amino-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 39872209
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine
CID 59253116
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 118271900) is 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CN1CC(N)C(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is WKPYUKGDCNTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17-6-9(11(16)7-17)8-4-2-3-5-10(8)12(13,14)15/h2-5,9,11H,6-7,16H2,1H3.
What are the key properties of 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 118271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).