2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine

C15H26N2O2 — CID 115138077

IUPAC2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1cc(C)c(N(C)C(CN)C(C)C)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-10(2)13(9-16)17(4)15-11(3)7-12(18-5)8-14(15)19-6/h7-8,10,13H,9,16H2,1-6H3
InChIKeyLWTILWRPPMHOSL-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.43
Rot. Bonds6

About 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine

2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 115138077) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
PubChem CID115138077
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1cc(C)c(N(C)C(CN)C(C)C)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-10(2)13(9-16)17(4)15-11(3)7-12(18-5)8-14(15)19-6/h7-8,10,13H,9,16H2,1-6H3
InChIKeyLWTILWRPPMHOSL-UHFFFAOYSA-N
XLogP2.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-2-N-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 117039921
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
CID 115119574
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine (CID 115138077) is 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine is COc1cc(C)c(N(C)C(CN)C(C)C)c(OC)c1.
What is the InChIKey of 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is LWTILWRPPMHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)13(9-16)17(4)15-11(3)7-12(18-5)8-14(15)19-6/h7-8,10,13H,9,16H2,1-6H3.
What are the key properties of 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115138077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).