1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine

C15H26N2O — CID 116904678

IUPAC1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCCc1cc(C(C(C)CN)N(C)C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-6-12-9-13(7-8-14(12)18-5)15(17(3)4)11(2)10-16/h7-9,11,15H,6,10,16H2,1-5H3
InChIKeyUEPJSBHUZHOZMA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine

1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine (PubChem CID 116904678) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
PubChem CID116904678
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCCc1cc(C(C(C)CN)N(C)C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-6-12-9-13(7-8-14(12)18-5)15(17(3)4)11(2)10-16/h7-9,11,15H,6,10,16H2,1-5H3
InChIKeyUEPJSBHUZHOZMA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904651
3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907304
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
CID 116908524
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine (CID 116904678) is 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine is CCc1cc(C(C(C)CN)N(C)C)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The InChIKey is UEPJSBHUZHOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-12-9-13(7-8-14(12)18-5)15(17(3)4)11(2)10-16/h7-9,11,15H,6,10,16H2,1-5H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine?
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116904678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).