2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine

C11H21F3N2O2 — CID 103530991

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CC(OC)C(OC)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-7(15)10(11(12,13)14)16-5-8(17-2)9(6-16)18-3/h7-10H,4-6,15H2,1-3H3
InChIKeyHWSDAMUAOQPWHU-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.00
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 103530991) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID103530991
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CC(OC)C(OC)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-7(15)10(11(12,13)14)16-5-8(17-2)9(6-16)18-3/h7-10H,4-6,15H2,1-3H3
InChIKeyHWSDAMUAOQPWHU-UHFFFAOYSA-N
XLogP1.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
CID 145131539
1-Methyl-4-(trifluoromethoxy)pyrrolidin-3-amine
CID 147371119
4-(1,1-Difluoroethoxy)-1-methylpyrrolidin-3-amine
CID 148492032
2-[[Methyl-[2-(trifluoromethoxy)ethyl]amino]methyl]pyrrolidin-3-ol
CID 172335460
ethane;N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 172335926
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008614
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55009065
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55009258
2,2,2-trifluoro-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylethanamine
CID 61214089
N-ethyl-2,2,2-trifluoro-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
CID 61606729
1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pentane-2,3-diamine
CID 61647713

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine (CID 103530991) is 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CC(OC)C(OC)C1)C(F)(F)F.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is HWSDAMUAOQPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-7(15)10(11(12,13)14)16-5-8(17-2)9(6-16)18-3/h7-10H,4-6,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 270.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 103530991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).