1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine

C15H22F2N2 — CID 107521582

IUPAC1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCC(C)C1CCCN1CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-10(2)15-4-3-7-19(15)9-14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-15H,3-4,7,9,18H2,1-2H3
InChIKeyASQHAXUPEYJKAI-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.09
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine

1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine (PubChem CID 107521582) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
PubChem CID107521582
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCC(C)C1CCCN1CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-10(2)15-4-3-7-19(15)9-14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-15H,3-4,7,9,18H2,1-2H3
InChIKeyASQHAXUPEYJKAI-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
2-(3-tert-butylpyrrolidin-1-yl)-1-(3,4-difluorophenyl)ethanamine
CID 107521958
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
1-(3,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 107520951
1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine
CID 82215703
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107522123

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine (CID 107521582) is 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine is CC(C)C1CCCN1CC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is ASQHAXUPEYJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(2)15-4-3-7-19(15)9-14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-15H,3-4,7,9,18H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 107521582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).