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

C15H26N2O — CID 116949463

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCC(NC)c1ccc(OC)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-11-12(2)15(18-5)9-8-13(11)14(17-4)7-6-10-16-3/h8-9,14,16-17H,6-7,10H2,1-5H3
InChIKeyMIHRKNPVGUZICJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.57
Rot. Bonds7

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

1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 116949463) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID116949463
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCC(NC)c1ccc(OC)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-11-12(2)15(18-5)9-8-13(11)14(17-4)7-6-10-16-3/h8-9,14,16-17H,6-7,10H2,1-5H3
InChIKeyMIHRKNPVGUZICJ-UHFFFAOYSA-N
XLogP2.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949448
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514935
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950345
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine (CID 116949463) is 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine is CNCCCC(NC)c1ccc(OC)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is MIHRKNPVGUZICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-12(2)15(18-5)9-8-13(11)14(17-4)7-6-10-16-3/h8-9,14,16-17H,6-7,10H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine?
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).