N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine

C13H17F3N2O — CID 63297774

IUPACN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(Cc1ccccc1OC(F)(F)F)C1CCNC1
InChIInChI=1S/C13H17F3N2O/c1-18(11-6-7-17-8-11)9-10-4-2-3-5-12(10)19-13(14,15)16/h2-5,11,17H,6-9H2,1H3
InChIKeyNTOQRAAKPVUERH-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine

N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 63297774) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
PubChem CID63297774
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(Cc1ccccc1OC(F)(F)F)C1CCNC1
InChIInChI=1S/C13H17F3N2O/c1-18(11-6-7-17-8-11)9-10-4-2-3-5-12(10)19-13(14,15)16/h2-5,11,17H,6-9H2,1H3
InChIKeyNTOQRAAKPVUERH-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-piperidin-4-yl-N-propyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119825481
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
1-pyrrolidin-3-yl-4-[[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 154900642
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062877
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine (CID 63297774) is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine is CN(Cc1ccccc1OC(F)(F)F)C1CCNC1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is NTOQRAAKPVUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18(11-6-7-17-8-11)9-10-4-2-3-5-12(10)19-13(14,15)16/h2-5,11,17H,6-9H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63297774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).