3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine

C11H13F3N2 — CID 165468437

IUPAC3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
SMILESCC1(N)CNCC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2/c1-11(15)5-16-4-7(11)6-2-8(12)10(14)9(13)3-6/h2-3,7,16H,4-5,15H2,1H3
InChIKeyBSCQCVYLXBUAJA-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.51
Rot. Bonds1

About 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine

3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine (PubChem CID 165468437) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
PubChem CID165468437
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
SMILESCC1(N)CNCC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2/c1-11(15)5-16-4-7(11)6-2-8(12)10(14)9(13)3-6/h2-3,7,16H,4-5,15H2,1H3
InChIKeyBSCQCVYLXBUAJA-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-(2,5-difluoro-4-methylphenyl)-3-methylpyrrolidin-3-amine
CID 178199865
(3R,4S)-4-(3-bromo-4-methylphenyl)-3-methylpyrrolidin-3-amine
CID 178198080
4-(3-cyclopropylphenyl)-3-methylpyrrolidin-3-amine
CID 165468446
(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 165476719
2-methyl-2-propan-2-yl-6-(3,4,5-trifluorophenyl)morpholine
CID 114497559
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
(3R,4S)-4-(fluoromethyl)-3-methylpyrrolidin-3-amine
CID 70395602
6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
CID 82386691
6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine
CID 65127307
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984
(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine
CID 134498577
6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine
CID 66179735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine (CID 165468437) is 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine is CC1(N)CNCC1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine?
The InChIKey is BSCQCVYLXBUAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-11(15)5-16-4-7(11)6-2-8(12)10(14)9(13)3-6/h2-3,7,16H,4-5,15H2,1H3.
What are the key properties of 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine?
3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 165468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).