ethane;4-ethyl-N-methylaniline;methane

C12H23N — CID 142034195

IUPACethane;4-ethyl-N-methylaniline;methane
SMILESC.CC.CCc1ccc(NC)cc1
InChIInChI=1S/C9H13N.C2H6.CH4/c1-3-8-4-6-9(10-2)7-5-8;1-2;/h4-7,10H,3H2,1-2H3;1-2H3;1H4
InChIKeyIWUNCICEFYLIMO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.95
Rot. Bonds2

About ethane;4-ethyl-N-methylaniline;methane

ethane;4-ethyl-N-methylaniline;methane (PubChem CID 142034195) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;4-ethyl-N-methylaniline;methane.

Molecular Properties

Compound Nameethane;4-ethyl-N-methylaniline;methane
PubChem CID142034195
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;4-ethyl-N-methylaniline;methane
SMILESC.CC.CCc1ccc(NC)cc1
InChIInChI=1S/C9H13N.C2H6.CH4/c1-3-8-4-6-9(10-2)7-5-8;1-2;/h4-7,10H,3H2,1-2H3;1-2H3;1H4
InChIKeyIWUNCICEFYLIMO-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethylphenyl)-N-methylaniline
CID 83639646
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
1,4-diethylbenzene;ethane;methane
CID 166131756
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
1,4-diethylbenzene;ethane
CID 91207141
ethane;[4-(methylamino)phenyl]methanethiol
CID 143570077
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
N,4-diethylaniline
CID 6429431
N-bromo-4-ethylaniline
CID 118307209
ethane;N-methyl-4-(methylsulfanylmethyl)aniline
CID 142449125
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-methylaniline;methane?
The IUPAC name of ethane;4-ethyl-N-methylaniline;methane (CID 142034195) is ethane;4-ethyl-N-methylaniline;methane.
What is the SMILES notation for ethane;4-ethyl-N-methylaniline;methane?
The canonical SMILES for ethane;4-ethyl-N-methylaniline;methane is C.CC.CCc1ccc(NC)cc1.
What is the InChIKey of ethane;4-ethyl-N-methylaniline;methane?
The InChIKey is IWUNCICEFYLIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6.CH4/c1-3-8-4-6-9(10-2)7-5-8;1-2;/h4-7,10H,3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;4-ethyl-N-methylaniline;methane?
ethane;4-ethyl-N-methylaniline;methane has a molecular weight of 181.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-methylaniline;methane is sourced from PubChem (CID 142034195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).