3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine

C11H14N2O — CID 167685640

IUPAC3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine
SMILESCCc1ccc(C2(C)N=N2)cc1OC
InChIInChI=1S/C11H14N2O/c1-4-8-5-6-9(7-10(8)14-3)11(2)12-13-11/h5-7H,4H2,1-3H3
InChIKeyROKVSXSMTPKXJR-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.90
Rot. Bonds3

About 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine

3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine (PubChem CID 167685640) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine.

Molecular Properties

Compound Name3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine
PubChem CID167685640
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine
SMILESCCc1ccc(C2(C)N=N2)cc1OC
InChIInChI=1S/C11H14N2O/c1-4-8-5-6-9(7-10(8)14-3)11(2)12-13-11/h5-7H,4H2,1-3H3
InChIKeyROKVSXSMTPKXJR-UHFFFAOYSA-N
XLogP2.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxyphenyl)cyclohexan-1-amine
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2-(3-Methoxy-4-methylphenyl)ethan-1-amine
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1-(3-Methoxyphenyl)ethanamine
CID 4612058
(R)-1-(3-Methoxyphenyl)ethylamine
CID 7020759
(S)-1-(3-methoxyphenyl)ethylamine
CID 7020761
1-(2-Methoxy-4-methylphenyl)propan-2-amine
CID 91245
1-(2-Azidoethyl)-2-methoxybenzene
CID 60195099
1-(2-Azidoethyl)-3-methoxybenzene
CID 60195100
2-Methoxy-4-methyl-1-(prop-1-en-2-yl)benzene
CID 12347540
2-Methoxy-1-methyl-4-(prop-1-en-2-yl)benzene
CID 22768675
1-(2-Methoxy-4-methylphenyl)propan-2-amine--hydrogen chloride (1/1)
CID 91244

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine?
The IUPAC name of 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine (CID 167685640) is 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine.
What is the SMILES notation for 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine?
The canonical SMILES for 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine is CCc1ccc(C2(C)N=N2)cc1OC.
What is the InChIKey of 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine?
The InChIKey is ROKVSXSMTPKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-8-5-6-9(7-10(8)14-3)11(2)12-13-11/h5-7H,4H2,1-3H3.
What are the key properties of 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine?
3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine has a molecular weight of 190.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methoxyphenyl)-3-methyldiazirine is sourced from PubChem (CID 167685640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).