N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine

C9H17F3N2 — CID 62370721

IUPACN-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCCN(CC1CCNC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)6-8-3-4-13-5-8/h8,13H,2-7H2,1H3
InChIKeyYXBLQSNCJULLNT-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.48
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine

N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 62370721) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID62370721
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCCN(CC1CCNC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)6-8-3-4-13-5-8/h8,13H,2-7H2,1H3
InChIKeyYXBLQSNCJULLNT-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
N,N-Diethyl-3-pyrrolidinemethanamine
CID 14075474
Methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CID 15021556
[1-(2-Methylpropyl)pyrrolidin-3-yl]methanamine
CID 17998746
((1-Ethylpyrrolidin-3-yl)methyl)(methyl)amine
CID 17998752
(1-Propylpyrrolidin-3-yl)methanamine
CID 24275254
1-(2,2,2-Trifluoroethyl)-3-pyrrolidinemethanamine
CID 24700159
(R)-N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 26368555
dimethyl({[(3S)-pyrrolidin-3-yl]methyl})amine
CID 26368557
Ethyl(methyl)(pyrrolidin-3-ylmethyl)amine
CID 54112396
3,3-Difluoro-4-methylpyrrolidine hydrochloride
CID 84716657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 62370721) is N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine is CCN(CC1CCNC1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is YXBLQSNCJULLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)6-8-3-4-13-5-8/h8,13H,2-7H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 62370721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).