2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine

C15H26N2O — CID 115138015

IUPAC2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1cc(C)c(C)cc1N(C)C(CN)C(C)C
InChIInChI=1S/C15H26N2O/c1-10(2)14(9-16)17(5)13-7-11(3)12(4)8-15(13)18-6/h7-8,10,14H,9,16H2,1-6H3
InChIKeyCRCMAQNSIOUCGZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds5

About 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine

2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 115138015) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
PubChem CID115138015
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1cc(C)c(C)cc1N(C)C(CN)C(C)C
InChIInChI=1S/C15H26N2O/c1-10(2)14(9-16)17(5)13-7-11(3)12(4)8-15(13)18-6/h7-8,10,14H,9,16H2,1-6H3
InChIKeyCRCMAQNSIOUCGZ-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
CID 117040233
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine (CID 115138015) is 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine is COc1cc(C)c(C)cc1N(C)C(CN)C(C)C.
What is the InChIKey of 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is CRCMAQNSIOUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)14(9-16)17(5)13-7-11(3)12(4)8-15(13)18-6/h7-8,10,14H,9,16H2,1-6H3.
What are the key properties of 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115138015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).