1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine

C17H26F2N2 — CID 79057362

IUPAC1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CC)(C(NC)c1cc(F)cc(F)c1)N1CCCC1
InChIInChI=1S/C17H26F2N2/c1-4-17(5-2,21-8-6-7-9-21)16(20-3)13-10-14(18)12-15(19)11-13/h10-12,16,20H,4-9H2,1-3H3
InChIKeyNDSPXLCIGYMTMQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.88
Rot. Bonds6

About 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79057362) has the molecular formula C17H26F2N2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79057362
Molecular FormulaC17H26F2N2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(CC)(C(NC)c1cc(F)cc(F)c1)N1CCCC1
InChIInChI=1S/C17H26F2N2/c1-4-17(5-2,21-8-6-7-9-21)16(20-3)13-10-14(18)12-15(19)11-13/h10-12,16,20H,4-9H2,1-3H3
InChIKeyNDSPXLCIGYMTMQ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-5-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241230
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 102647727
2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79067835
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068153
[1-(5-bromo-2-fluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105242208
4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
CID 79068000
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79057362) is 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(CC)(C(NC)c1cc(F)cc(F)c1)N1CCCC1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is NDSPXLCIGYMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-4-17(5-2,21-8-6-7-9-21)16(20-3)13-10-14(18)12-15(19)11-13/h10-12,16,20H,4-9H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79057362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).