2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine

C14H22N2O — CID 82290904

IUPAC2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C)cc1C(CN)N1CCCC1
InChIInChI=1S/C14H22N2O/c1-11-5-6-14(17-2)12(9-11)13(10-15)16-7-3-4-8-16/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3
InChIKeyRARHKUPNQXORJJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine

2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 82290904) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID82290904
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C)cc1C(CN)N1CCCC1
InChIInChI=1S/C14H22N2O/c1-11-5-6-14(17-2)12(9-11)13(10-15)16-7-3-4-8-16/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3
InChIKeyRARHKUPNQXORJJ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860302
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
CID 112748975
2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860316
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine (CID 82290904) is 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine is COc1ccc(C)cc1C(CN)N1CCCC1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is RARHKUPNQXORJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-6-14(17-2)12(9-11)13(10-15)16-7-3-4-8-16/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine?
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 82290904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).