1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H25FN2O — CID 106605738

IUPAC1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(CC1CCCN1)C(C)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-13(15-7-3-4-8-16(15)17)19(10-11-20-2)12-14-6-5-9-18-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyAEOPQGWPHQCNJI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.59
Rot. Bonds7

About 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106605738) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106605738
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(CC1CCCN1)C(C)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-13(15-7-3-4-8-16(15)17)19(10-11-20-2)12-14-6-5-9-18-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyAEOPQGWPHQCNJI-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605901
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605900
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606559
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
CID 106617658
1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603359

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106605738) is 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(CC1CCCN1)C(C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is AEOPQGWPHQCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(15-7-3-4-8-16(15)17)19(10-11-20-2)12-14-6-5-9-18-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106605738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).