[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C14H17F3N2O — CID 81484757

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCNCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-18-9-12-6-3-7-19(12)13(20)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12,18H,3,6-7,9H2,1H3
InChIKeyNPIKALNJOLJCKJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.53
Rot. Bonds3

About [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 81484757) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID81484757
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCNCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-18-9-12-6-3-7-19(12)13(20)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12,18H,3,6-7,9H2,1H3
InChIKeyNPIKALNJOLJCKJ-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63264345
2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 119649404
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 81484224
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119648935
[3-(benzenesulfonylmethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652101
[2-fluoro-3-(trifluoromethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81486354
N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
CID 119650299
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 81484757) is [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is CNCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is NPIKALNJOLJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-18-9-12-6-3-7-19(12)13(20)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12,18H,3,6-7,9H2,1H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 81484757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).