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

C14H24N2O — CID 117040233

IUPAC3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(C)cc1N(C)C(C)CCN
InChIInChI=1S/C14H24N2O/c1-10-8-13(14(17-5)9-11(10)2)16(4)12(3)6-7-15/h8-9,12H,6-7,15H2,1-5H3
InChIKeyKZUQHTKQMZZHCQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.49
Rot. Bonds5

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

3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine (PubChem CID 117040233) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
PubChem CID117040233
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(C)cc1N(C)C(C)CCN
InChIInChI=1S/C14H24N2O/c1-10-8-13(14(17-5)9-11(10)2)16(4)12(3)6-7-15/h8-9,12H,6-7,15H2,1-5H3
InChIKeyKZUQHTKQMZZHCQ-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 112510147
3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040350
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine (CID 117040233) is 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine is COc1cc(C)c(C)cc1N(C)C(C)CCN.
What is the InChIKey of 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is KZUQHTKQMZZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-13(14(17-5)9-11(10)2)16(4)12(3)6-7-15/h8-9,12H,6-7,15H2,1-5H3.
What are the key properties of 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine?
3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 117040233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).