1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine

C14H24N2O — CID 116904502

IUPAC1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCCOc1ccc(C(N(C)C)C(C)(C)N)cc1
InChIInChI=1S/C14H24N2O/c1-6-17-12-9-7-11(8-10-12)13(16(4)5)14(2,3)15/h7-10,13H,6,15H2,1-5H3
InChIKeyQQAGVGGFZFLQKK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine

1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (PubChem CID 116904502) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
PubChem CID116904502
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCCOc1ccc(C(N(C)C)C(C)(C)N)cc1
InChIInChI=1S/C14H24N2O/c1-6-17-12-9-7-11(8-10-12)13(16(4)5)14(2,3)15/h7-10,13H,6,15H2,1-5H3
InChIKeyQQAGVGGFZFLQKK-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (CID 116904502) is 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is CCOc1ccc(C(N(C)C)C(C)(C)N)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The InChIKey is QQAGVGGFZFLQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-17-12-9-7-11(8-10-12)13(16(4)5)14(2,3)15/h7-10,13H,6,15H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116904502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).