1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine

C15H26N2O — CID 116905470

IUPAC1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
SMILESCCOc1ccc(C(CC(C)CN)N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-18-14-8-6-13(7-9-14)15(17(3)4)10-12(2)11-16/h6-9,12,15H,5,10-11,16H2,1-4H3
InChIKeyQQWGJWXLLQVKIZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.67
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine

1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine (PubChem CID 116905470) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
PubChem CID116905470
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
SMILESCCOc1ccc(C(CC(C)CN)N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-18-14-8-6-13(7-9-14)15(17(3)4)10-12(2)11-16/h6-9,12,15H,5,10-11,16H2,1-4H3
InChIKeyQQWGJWXLLQVKIZ-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658133
1-(4-ethoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61439040
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904502
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine (CID 116905470) is 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine is CCOc1ccc(C(CC(C)CN)N(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine?
The InChIKey is QQWGJWXLLQVKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-18-14-8-6-13(7-9-14)15(17(3)4)10-12(2)11-16/h6-9,12,15H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine?
1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116905470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).