[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine

C16H26N2O2 — CID 115486226

IUPAC[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1ccc(OCCN2CC(CN)CC2C)cc1
InChIInChI=1S/C16H26N2O2/c1-3-19-15-4-6-16(7-5-15)20-9-8-18-12-14(11-17)10-13(18)2/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeySWTADNHBPVGLFY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds7

About [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 115486226) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID115486226
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCCOc1ccc(OCCN2CC(CN)CC2C)cc1
InChIInChI=1S/C16H26N2O2/c1-3-19-15-4-6-16(7-5-15)20-9-8-18-12-14(11-17)10-13(18)2/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeySWTADNHBPVGLFY-UHFFFAOYSA-N
XLogP2.13
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086
[1-(4-ethoxyphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582144
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine (CID 115486226) is [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine is CCOc1ccc(OCCN2CC(CN)CC2C)cc1.
What is the InChIKey of [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is SWTADNHBPVGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-19-15-4-6-16(7-5-15)20-9-8-18-12-14(11-17)10-13(18)2/h4-7,13-14H,3,8-12,17H2,1-2H3.
What are the key properties of [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).