4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine

C16H26N2O2 — CID 103576883

IUPAC4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
SMILESCCCOc1ccc(OCCN2CC(C)C(N)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-3-9-19-14-4-6-15(7-5-14)20-10-8-18-11-13(2)16(17)12-18/h4-7,13,16H,3,8-12,17H2,1-2H3
InChIKeyPGRYAODQMHXTLT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds7

About 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine

4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine (PubChem CID 103576883) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
PubChem CID103576883
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
SMILESCCCOc1ccc(OCCN2CC(C)C(N)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-3-9-19-14-4-6-15(7-5-14)20-10-8-18-11-13(2)16(17)12-18/h4-7,13,16H,3,8-12,17H2,1-2H3
InChIKeyPGRYAODQMHXTLT-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-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
CID 103576527
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
(1S,5R,6R)-3-[2-(4-propoxyphenoxy)ethyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137337743
1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103576951
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine (CID 103576883) is 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine is CCCOc1ccc(OCCN2CC(C)C(N)C2)cc1.
What is the InChIKey of 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is PGRYAODQMHXTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-19-14-4-6-15(7-5-14)20-10-8-18-11-13(2)16(17)12-18/h4-7,13,16H,3,8-12,17H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine?
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine 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 4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103576883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).