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

C15H26N2O — CID 115203086

IUPACN'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C)cc1N(C)CCC(C)CN
InChIInChI=1S/C15H26N2O/c1-11(10-16)6-7-17(4)14-9-12(2)8-13(3)15(14)18-5/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyBBNCUROQDJGUMS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds6

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

N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine (PubChem CID 115203086) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
PubChem CID115203086
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C)cc1N(C)CCC(C)CN
InChIInChI=1S/C15H26N2O/c1-11(10-16)6-7-17(4)14-9-12(2)8-13(3)15(14)18-5/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyBBNCUROQDJGUMS-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
CID 115241124
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 81079446
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine (CID 115203086) is N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine is COc1c(C)cc(C)cc1N(C)CCC(C)CN.
What is the InChIKey of N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The InChIKey is BBNCUROQDJGUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(10-16)6-7-17(4)14-9-12(2)8-13(3)15(14)18-5/h8-9,11H,6-7,10,16H2,1-5H3.
What are the key properties of N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115203086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).