N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine

C13H17ClF3N3 — CID 62592867

IUPACN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3N3/c1-2-18-8-10-4-3-5-20(10)12-11(14)6-9(7-19-12)13(15,16)17/h6-7,10,18H,2-5,8H2,1H3
InChIKeyTWPPJNFNHPDICU-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.33
Rot. Bonds4

About N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine

N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62592867) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62592867
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC NameN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3N3/c1-2-18-8-10-4-3-5-20(10)12-11(14)6-9(7-19-12)13(15,16)17/h6-7,10,18H,2-5,8H2,1H3
InChIKeyTWPPJNFNHPDICU-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 63392201
N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 105370506
3-chloro-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 102785855
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032254
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 62274622
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592710

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine (CID 62592867) is N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is TWPPJNFNHPDICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-2-18-8-10-4-3-5-20(10)12-11(14)6-9(7-19-12)13(15,16)17/h6-7,10,18H,2-5,8H2,1H3.
What are the key properties of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 307.75 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62592867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).