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

C14H19F3N2 — CID 103575451

IUPAC4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
SMILESCC1CN(C(C)c2ccccc2C(F)(F)F)CC1N
InChIInChI=1S/C14H19F3N2/c1-9-7-19(8-13(9)18)10(2)11-5-3-4-6-12(11)14(15,16)17/h3-6,9-10,13H,7-8,18H2,1-2H3
InChIKeyYWVMMRQKZKNNJC-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.05
Rot. Bonds2

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

4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine (PubChem CID 103575451) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
PubChem CID103575451
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
SMILESCC1CN(C(C)c2ccccc2C(F)(F)F)CC1N
InChIInChI=1S/C14H19F3N2/c1-9-7-19(8-13(9)18)10(2)11-5-3-4-6-12(11)14(15,16)17/h3-6,9-10,13H,7-8,18H2,1-2H3
InChIKeyYWVMMRQKZKNNJC-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine (CID 103575451) is 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine is CC1CN(C(C)c2ccccc2C(F)(F)F)CC1N.
What is the InChIKey of 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine?
The InChIKey is YWVMMRQKZKNNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9-7-19(8-13(9)18)10(2)11-5-3-4-6-12(11)14(15,16)17/h3-6,9-10,13H,7-8,18H2,1-2H3.
What are the key properties of 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine?
4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).