2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine

C16H26N2O — CID 115117769

IUPAC2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1NC1CCCCC1N
InChIInChI=1S/C16H26N2O/c1-11(2)12-8-9-16(19-3)15(10-12)18-14-7-5-4-6-13(14)17/h8-11,13-14,18H,4-7,17H2,1-3H3
InChIKeyDMUZOJHWYKFXOL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.50
Rot. Bonds4

About 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine

2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine (PubChem CID 115117769) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine
PubChem CID115117769
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1NC1CCCCC1N
InChIInChI=1S/C16H26N2O/c1-11(2)12-8-9-16(19-3)15(10-12)18-14-7-5-4-6-13(14)17/h8-11,13-14,18H,4-7,17H2,1-3H3
InChIKeyDMUZOJHWYKFXOL-UHFFFAOYSA-N
XLogP3.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.50
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-5-propan-2-ylphenyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine (CID 115117769) is 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine is COc1ccc(C(C)C)cc1NC1CCCCC1N.
What is the InChIKey of 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine?
The InChIKey is DMUZOJHWYKFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)12-8-9-16(19-3)15(10-12)18-14-7-5-4-6-13(14)17/h8-11,13-14,18H,4-7,17H2,1-3H3.
What are the key properties of 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine?
2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-5-propan-2-ylphenyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).