ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine

C15H25NO2 — CID 143473469

IUPACethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine
SMILESCC.COc1ccc(CO[C@H]2CCCN2C)cc1
InChIInChI=1S/C13H19NO2.C2H6/c1-14-9-3-4-13(14)16-10-11-5-7-12(15-2)8-6-11;1-2/h5-8,13H,3-4,9-10H2,1-2H3;1-2H3/t13-;/m0./s1
InChIKeyALKJADNICPSRHX-ZOWNYOTGSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds4

About ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine

ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine (PubChem CID 143473469) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine
PubChem CID143473469
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine
SMILESCC.COc1ccc(CO[C@H]2CCCN2C)cc1
InChIInChI=1S/C13H19NO2.C2H6/c1-14-9-3-4-13(14)16-10-11-5-7-12(15-2)8-6-11;1-2/h5-8,13H,3-4,9-10H2,1-2H3;1-2H3/t13-;/m0./s1
InChIKeyALKJADNICPSRHX-ZOWNYOTGSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrrolidine
CID 143472093
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
ethane;(2S)-2-[(3-methoxyphenyl)methoxy]-1-methylpyrrolidine;1,1,1-trifluoro-2,3-dimethyloctane
CID 143472294
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
ethyl 6-[2-[[4-(4-methoxyphenyl)phenyl]methoxy]piperidin-1-yl]hexanoate
CID 54367483
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine?
The IUPAC name of ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine (CID 143473469) is ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine.
What is the SMILES notation for ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine?
The canonical SMILES for ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine is CC.COc1ccc(CO[C@H]2CCCN2C)cc1.
What is the InChIKey of ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine?
The InChIKey is ALKJADNICPSRHX-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-14-9-3-4-13(14)16-10-11-5-7-12(15-2)8-6-11;1-2/h5-8,13H,3-4,9-10H2,1-2H3;1-2H3/t13-;/m0./s1.
What are the key properties of ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine?
ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine is sourced from PubChem (CID 143473469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).