ethane;2-methoxy-N-methyl-4-propylaniline

C13H23NO — CID 156712909

IUPACethane;2-methoxy-N-methyl-4-propylaniline
SMILESCC.CCCc1ccc(NC)c(OC)c1
InChIInChI=1S/C11H17NO.C2H6/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-2/h6-8,12H,4-5H2,1-3H3;1-2H3
InChIKeyMHTSRNNHTSEVOT-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.72
Rot. Bonds4

About ethane;2-methoxy-N-methyl-4-propylaniline

ethane;2-methoxy-N-methyl-4-propylaniline (PubChem CID 156712909) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;2-methoxy-N-methyl-4-propylaniline.

Molecular Properties

Compound Nameethane;2-methoxy-N-methyl-4-propylaniline
PubChem CID156712909
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;2-methoxy-N-methyl-4-propylaniline
SMILESCC.CCCc1ccc(NC)c(OC)c1
InChIInChI=1S/C11H17NO.C2H6/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-2/h6-8,12H,4-5H2,1-3H3;1-2H3
InChIKeyMHTSRNNHTSEVOT-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
ethane;2-methoxy-4-propylphenol
CID 144852330
N-methyl-2,4-dipropylaniline
CID 23348993
2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
CID 174335171
1-iodo-2-methoxy-4-propylbenzene
CID 118402577
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
2-(1-isocyanoethyl)-1-methoxy-4-propylbenzene
CID 4269004
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 163534558
4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
ethane;1-methoxy-4-propylbenzene
CID 142085762

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-methyl-4-propylaniline?
The IUPAC name of ethane;2-methoxy-N-methyl-4-propylaniline (CID 156712909) is ethane;2-methoxy-N-methyl-4-propylaniline.
What is the SMILES notation for ethane;2-methoxy-N-methyl-4-propylaniline?
The canonical SMILES for ethane;2-methoxy-N-methyl-4-propylaniline is CC.CCCc1ccc(NC)c(OC)c1.
What is the InChIKey of ethane;2-methoxy-N-methyl-4-propylaniline?
The InChIKey is MHTSRNNHTSEVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-2/h6-8,12H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methoxy-N-methyl-4-propylaniline?
ethane;2-methoxy-N-methyl-4-propylaniline has a molecular weight of 209.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-methyl-4-propylaniline is sourced from PubChem (CID 156712909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).