2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine

C12H18N2O — CID 43609784

IUPAC2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine
SMILESCc1cc(NC2CCOCC2)ccc1N
InChIInChI=1S/C12H18N2O/c1-9-8-11(2-3-12(9)13)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3
InChIKeyCMGPOIIAHVAQMX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine

2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine (PubChem CID 43609784) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine
PubChem CID43609784
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine
SMILESCc1cc(NC2CCOCC2)ccc1N
InChIInChI=1S/C12H18N2O/c1-9-8-11(2-3-12(9)13)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3
InChIKeyCMGPOIIAHVAQMX-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine (CID 43609784) is 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine is Cc1cc(NC2CCOCC2)ccc1N.
What is the InChIKey of 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine?
The InChIKey is CMGPOIIAHVAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-8-11(2-3-12(9)13)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3.
What are the key properties of 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine?
2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 43609784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).