2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine

C14H20F2N2O2 — CID 103531860

IUPAC2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(F)c(F)c2)CC1OC
InChIInChI=1S/C14H20F2N2O2/c1-19-13-7-18(8-14(13)20-2)12(6-17)9-3-4-10(15)11(16)5-9/h3-5,12-14H,6-8,17H2,1-2H3
InChIKeyKVPHXOULKIZYEL-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.31
Rot. Bonds5

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

2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine (PubChem CID 103531860) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
PubChem CID103531860
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(F)c(F)c2)CC1OC
InChIInChI=1S/C14H20F2N2O2/c1-19-13-7-18(8-14(13)20-2)12(6-17)9-3-4-10(15)11(16)5-9/h3-5,12-14H,6-8,17H2,1-2H3
InChIKeyKVPHXOULKIZYEL-UHFFFAOYSA-N
XLogP1.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886
2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531787
2-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531943
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 81437164
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988466
2-(3,4-difluorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562470
2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63645052
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine (CID 103531860) is 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine is COC1CN(C(CN)c2ccc(F)c(F)c2)CC1OC.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The InChIKey is KVPHXOULKIZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-19-13-7-18(8-14(13)20-2)12(6-17)9-3-4-10(15)11(16)5-9/h3-5,12-14H,6-8,17H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine has a molecular weight of 286.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103531860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).