1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

C16H25FN2O — CID 82808246

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(c1cccc(OC)c1F)C(C)(C)N1CCCC1
InChIInChI=1S/C16H25FN2O/c1-16(2,19-10-5-6-11-19)15(18-3)12-8-7-9-13(20-4)14(12)17/h7-9,15,18H,5-6,10-11H2,1-4H3
InChIKeyQLMSHEFYOAHSPA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 82808246) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID82808246
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(c1cccc(OC)c1F)C(C)(C)N1CCCC1
InChIInChI=1S/C16H25FN2O/c1-16(2,19-10-5-6-11-19)15(18-3)12-8-7-9-13(20-4)14(12)17/h7-9,15,18H,5-6,10-11H2,1-4H3
InChIKeyQLMSHEFYOAHSPA-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 79056816
1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 82771720
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104794094
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
1-(2-cyclobutylphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114603689

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (CID 82808246) is 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is CNC(c1cccc(OC)c1F)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is QLMSHEFYOAHSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-16(2,19-10-5-6-11-19)15(18-3)12-8-7-9-13(20-4)14(12)17/h7-9,15,18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 82808246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).