1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine

C15H25NO2 — CID 105145062

IUPAC1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCCOc1ccccc1C(CC(C)COC)NC
InChIInChI=1S/C15H25NO2/c1-5-18-15-9-7-6-8-13(15)14(16-3)10-12(2)11-17-4/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyDTCFXQABEBFSOK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds8

About 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine

1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 105145062) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
PubChem CID105145062
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCCOc1ccccc1C(CC(C)COC)NC
InChIInChI=1S/C15H25NO2/c1-5-18-15-9-7-6-8-13(15)14(16-3)10-12(2)11-17-4/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyDTCFXQABEBFSOK-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
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1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
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CID 64652372
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
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1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine (CID 105145062) is 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine is CCOc1ccccc1C(CC(C)COC)NC.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is DTCFXQABEBFSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-18-15-9-7-6-8-13(15)14(16-3)10-12(2)11-17-4/h6-9,12,14,16H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 105145062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).