N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine

C15H21F3N2 — CID 115316141

IUPACN-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-11(20-9-3-4-14(20)10-19-2)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyGLQNOILLUDMXKO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.45
Rot. Bonds4

About N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine

N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 115316141) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
PubChem CID115316141
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-11(20-9-3-4-14(20)10-19-2)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyGLQNOILLUDMXKO-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119649401
1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160
N-methyl-1-[1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316091
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine (CID 115316141) is N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine is CNCC1CCCN1C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is GLQNOILLUDMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(20-9-3-4-14(20)10-19-2)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115316141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).