1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine

C14H22N2O — CID 103576951

IUPAC1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCOc1ccc(CCN2CC(C)C(N)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11-9-16(10-14(11)15)8-7-12-3-5-13(17-2)6-4-12/h3-6,11,14H,7-10,15H2,1-2H3
InChIKeyOJTMTTKQAOGBGQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine

1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576951) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
PubChem CID103576951
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCOc1ccc(CCN2CC(C)C(N)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11-9-16(10-14(11)15)8-7-12-3-5-13(17-2)6-4-12/h3-6,11,14H,7-10,15H2,1-2H3
InChIKeyOJTMTTKQAOGBGQ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine (CID 103576951) is 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine is COc1ccc(CCN2CC(C)C(N)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
The InChIKey is OJTMTTKQAOGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-16(10-14(11)15)8-7-12-3-5-13(17-2)6-4-12/h3-6,11,14H,7-10,15H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).