[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine

C16H26N2O2 — CID 62063950

IUPAC[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESCCCOc1ccc(OCCN2CCC(CN)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-2-10-19-15-3-5-16(6-4-15)20-11-9-18-8-7-14(12-17)13-18/h3-6,14H,2,7-13,17H2,1H3
InChIKeyJRVVVJDIRAXVHG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds8

About [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine

[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 62063950) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID62063950
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESCCCOc1ccc(OCCN2CCC(CN)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-2-10-19-15-3-5-16(6-4-15)20-11-9-18-8-7-14(12-17)13-18/h3-6,14H,2,7-13,17H2,1H3
InChIKeyJRVVVJDIRAXVHG-UHFFFAOYSA-N
XLogP2.13
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 119483421
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine (CID 62063950) is [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine is CCCOc1ccc(OCCN2CCC(CN)C2)cc1.
What is the InChIKey of [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is JRVVVJDIRAXVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-10-19-15-3-5-16(6-4-15)20-11-9-18-8-7-14(12-17)13-18/h3-6,14H,2,7-13,17H2,1H3.
What are the key properties of [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62063950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).