ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane

C18H33NO — CID 176937832

IUPACethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
SMILESCC.CC(C)C.Cc1ccc(OC2CCN(C)C2)cc1
InChIInChI=1S/C12H17NO.C4H10.C2H6/c1-10-3-5-11(6-4-10)14-12-7-8-13(2)9-12;1-4(2)3;1-2/h3-6,12H,7-9H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyJRKHGLSQQLYZLN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.77
Rot. Bonds2

About ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane

ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane (PubChem CID 176937832) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane.

Molecular Properties

Compound Nameethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
PubChem CID176937832
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Nameethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
SMILESCC.CC(C)C.Cc1ccc(OC2CCN(C)C2)cc1
InChIInChI=1S/C12H17NO.C4H10.C2H6/c1-10-3-5-11(6-4-10)14-12-7-8-13(2)9-12;1-4(2)3;1-2/h3-6,12H,7-9H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyJRKHGLSQQLYZLN-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane 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

3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704
CID 140799111
CID 140799111
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
3-[4-chloro-2-(4-methylphenoxy)phenoxy]-1-methylpyrrolidine
CID 67349241
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
CID 18723191
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine
CID 112741376
2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
CID 11406297
5-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]oxyaniline
CID 170995493
5-(1-methylpyrrolidin-3-yl)oxypyridin-2-amine
CID 130834078

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane?
The IUPAC name of ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane (CID 176937832) is ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane.
What is the SMILES notation for ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane?
The canonical SMILES for ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane is CC.CC(C)C.Cc1ccc(OC2CCN(C)C2)cc1.
What is the InChIKey of ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane?
The InChIKey is JRKHGLSQQLYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C4H10.C2H6/c1-10-3-5-11(6-4-10)14-12-7-8-13(2)9-12;1-4(2)3;1-2/h3-6,12H,7-9H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane?
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane has a molecular weight of 279.47 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane is sourced from PubChem (CID 176937832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).