1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine

C15H26N2O — CID 79054097

IUPAC1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
SMILESCNC(Cc1cccc(OC)c1)C(C)(C)N(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,17(4)5)14(16-3)11-12-8-7-9-13(10-12)18-6/h7-10,14,16H,11H2,1-6H3
InChIKeyZJJHRZCXXBZOPH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine

1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine (PubChem CID 79054097) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
PubChem CID79054097
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
SMILESCNC(Cc1cccc(OC)c1)C(C)(C)N(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,17(4)5)14(16-3)11-12-8-7-9-13(10-12)18-6/h7-10,14,16H,11H2,1-6H3
InChIKeyZJJHRZCXXBZOPH-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine (CID 79054097) is 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine is CNC(Cc1cccc(OC)c1)C(C)(C)N(C)C.
What is the InChIKey of 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
The InChIKey is ZJJHRZCXXBZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,17(4)5)14(16-3)11-12-8-7-9-13(10-12)18-6/h7-10,14,16H,11H2,1-6H3.
What are the key properties of 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine is sourced from PubChem (CID 79054097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).