N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine

C15H21F3N2 — CID 62513041

IUPACN-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2/c1-11(2)19-9-12-6-7-20(10-12)14-5-3-4-13(8-14)15(16,17)18/h3-5,8,11-12,19H,6-7,9-10H2,1-2H3
InChIKeyBHAOWBINFMVJQE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.53
Rot. Bonds4

About N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62513041) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62513041
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2/c1-11(2)19-9-12-6-7-20(10-12)14-5-3-4-13(8-14)15(16,17)18/h3-5,8,11-12,19H,6-7,9-10H2,1-2H3
InChIKeyBHAOWBINFMVJQE-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512611
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
N-[[1-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081581
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 81266805
(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 11516096
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 62513041) is N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is BHAOWBINFMVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(2)19-9-12-6-7-20(10-12)14-5-3-4-13(8-14)15(16,17)18/h3-5,8,11-12,19H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62513041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).