1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine

C14H24N2O — CID 116932641

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1cc(C(C)C)ccc1C(N)C(C)(C)N
InChIInChI=1S/C14H24N2O/c1-9(2)10-6-7-11(12(8-10)17-5)13(15)14(3,4)16/h6-9,13H,15-16H2,1-5H3
InChIKeyXDMQCXHDVXIYQG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine

1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 116932641) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
PubChem CID116932641
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1cc(C(C)C)ccc1C(N)C(C)(C)N
InChIInChI=1S/C14H24N2O/c1-9(2)10-6-7-11(12(8-10)17-5)13(15)14(3,4)16/h6-9,13H,15-16H2,1-5H3
InChIKeyXDMQCXHDVXIYQG-UHFFFAOYSA-N
XLogP2.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 116915369
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine (CID 116932641) is 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine is COc1cc(C(C)C)ccc1C(N)C(C)(C)N.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is XDMQCXHDVXIYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)10-6-7-11(12(8-10)17-5)13(15)14(3,4)16/h6-9,13H,15-16H2,1-5H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 116932641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).