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

C14H22N2O — CID 103576944

IUPAC4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
SMILESCc1ccccc1OCCN1CC(C)C(N)C1
InChIInChI=1S/C14H22N2O/c1-11-5-3-4-6-14(11)17-8-7-16-9-12(2)13(15)10-16/h3-6,12-13H,7-10,15H2,1-2H3
InChIKeySATVKZNACOMYHL-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds4

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

4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine (PubChem CID 103576944) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
PubChem CID103576944
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
SMILESCc1ccccc1OCCN1CC(C)C(N)C1
InChIInChI=1S/C14H22N2O/c1-11-5-3-4-6-14(11)17-8-7-16-9-12(2)13(15)10-16/h3-6,12-13H,7-10,15H2,1-2H3
InChIKeySATVKZNACOMYHL-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
1-[4-[(3R,4R)-4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 98775110
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
(4aS,7aS)-6-[2-(2-methylphenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683220
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine (CID 103576944) is 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine is Cc1ccccc1OCCN1CC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is SATVKZNACOMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-3-4-6-14(11)17-8-7-16-9-12(2)13(15)10-16/h3-6,12-13H,7-10,15H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine?
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103576944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).