2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine

C16H26N2O — CID 115117844

IUPAC2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine
SMILESCOc1c(C)c(C)cc(C)c1NC1CCCCC1N
InChIInChI=1S/C16H26N2O/c1-10-9-11(2)15(16(19-4)12(10)3)18-14-8-6-5-7-13(14)17/h9,13-14,18H,5-8,17H2,1-4H3
InChIKeyCHRMXXPYDKZNCD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.30
Rot. Bonds3

About 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine

2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine (PubChem CID 115117844) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine
PubChem CID115117844
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine
SMILESCOc1c(C)c(C)cc(C)c1NC1CCCCC1N
InChIInChI=1S/C16H26N2O/c1-10-9-11(2)15(16(19-4)12(10)3)18-14-8-6-5-7-13(14)17/h9,13-14,18H,5-8,17H2,1-4H3
InChIKeyCHRMXXPYDKZNCD-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine (CID 115117844) is 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine is COc1c(C)c(C)cc(C)c1NC1CCCCC1N.
What is the InChIKey of 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine?
The InChIKey is CHRMXXPYDKZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-9-11(2)15(16(19-4)12(10)3)18-14-8-6-5-7-13(14)17/h9,13-14,18H,5-8,17H2,1-4H3.
What are the key properties of 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine?
2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).