ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane

C18H37NO — CID 143611271

IUPACethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane
SMILESCC.CC.CC(C)C.CCNc1cccc(C)c1OC
InChIInChI=1S/C10H15NO.C4H10.2C2H6/c1-4-11-9-7-5-6-8(2)10(9)12-3;1-4(2)3;2*1-2/h5-7,11H,4H2,1-3H3;4H,1-3H3;2*1-2H3
InChIKeyXCXQNKMAODKCBZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP6.15
Rot. Bonds3

About ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane

ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane (PubChem CID 143611271) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane.

Molecular Properties

Compound Nameethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane
PubChem CID143611271
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Nameethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane
SMILESCC.CC.CC(C)C.CCNc1cccc(C)c1OC
InChIInChI=1S/C10H15NO.C4H10.2C2H6/c1-4-11-9-7-5-6-8(2)10(9)12-3;1-4(2)3;2*1-2/h5-7,11H,4H2,1-3H3;4H,1-3H3;2*1-2H3
InChIKeyXCXQNKMAODKCBZ-UHFFFAOYSA-N
XLogP6.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(ethylamino)-2,6-dimethoxyphenol
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1-(2-methoxy-3-methylphenyl)propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane?
The IUPAC name of ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane (CID 143611271) is ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane.
What is the SMILES notation for ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane?
The canonical SMILES for ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane is CC.CC.CC(C)C.CCNc1cccc(C)c1OC.
What is the InChIKey of ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane?
The InChIKey is XCXQNKMAODKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C4H10.2C2H6/c1-4-11-9-7-5-6-8(2)10(9)12-3;1-4(2)3;2*1-2/h5-7,11H,4H2,1-3H3;4H,1-3H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane?
ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane has a molecular weight of 283.50 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane is sourced from PubChem (CID 143611271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).