N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine

C16H28N2O2 — CID 174845555

IUPACN-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1c(OC)cccc1OC
InChIInChI=1S/C16H28N2O2/c1-5-18(6-2)13-8-7-12-17-16-14(19-3)10-9-11-15(16)20-4/h9-11,17H,5-8,12-13H2,1-4H3
InChIKeyUEJQVQUUJXFHJP-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.24
Rot. Bonds10

About N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine

N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine (PubChem CID 174845555) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine
PubChem CID174845555
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1c(OC)cccc1OC
InChIInChI=1S/C16H28N2O2/c1-5-18(6-2)13-8-7-12-17-16-14(19-3)10-9-11-15(16)20-4/h9-11,17H,5-8,12-13H2,1-4H3
InChIKeyUEJQVQUUJXFHJP-UHFFFAOYSA-N
XLogP3.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
2,5-dichloro-3,6-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23624875
2-(5-hydroxypentylamino)-3-methoxyphenol
CID 18326935
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437749
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
methyl 3-amino-2-[3-(diethylamino)propylamino]benzoate
CID 115933991
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
3-[3-(diethylamino)propylamino]phenol
CID 83813650
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine?
The IUPAC name of N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine (CID 174845555) is N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine is CCN(CC)CCCCNc1c(OC)cccc1OC.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine?
The InChIKey is UEJQVQUUJXFHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-18(6-2)13-8-7-12-17-16-14(19-3)10-9-11-15(16)20-4/h9-11,17H,5-8,12-13H2,1-4H3.
What are the key properties of N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine?
N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine has a molecular weight of 280.41 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine is sourced from PubChem (CID 174845555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).