2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine

C16H26N2O2 — CID 117237996

IUPAC2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
SMILESCCN1CCC(C(CN)COc2ccc(OC)cc2)C1
InChIInChI=1S/C16H26N2O2/c1-3-18-9-8-13(11-18)14(10-17)12-20-16-6-4-15(19-2)5-7-16/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyVPMXKIRXLCCZFI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds7

About 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine

2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine (PubChem CID 117237996) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
PubChem CID117237996
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
SMILESCCN1CCC(C(CN)COc2ccc(OC)cc2)C1
InChIInChI=1S/C16H26N2O2/c1-3-18-9-8-13(11-18)14(10-17)12-20-16-6-4-15(19-2)5-7-16/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyVPMXKIRXLCCZFI-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
CID 117239428
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
CID 117238296
2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine (CID 117237996) is 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine is CCN1CCC(C(CN)COc2ccc(OC)cc2)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine?
The InChIKey is VPMXKIRXLCCZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18-9-8-13(11-18)14(10-17)12-20-16-6-4-15(19-2)5-7-16/h4-7,13-14H,3,8-12,17H2,1-2H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine?
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 117237996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).