2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine

C15H25NO2 — CID 82111063

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-15(6-2,11-16)10-12-7-8-13(17-3)14(9-12)18-4/h7-9H,5-6,10-11,16H2,1-4H3
InChIKeyDBAKNGSYIMCWDS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine

2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine (PubChem CID 82111063) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
PubChem CID82111063
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-15(6-2,11-16)10-12-7-8-13(17-3)14(9-12)18-4/h7-9H,5-6,10-11,16H2,1-4H3
InChIKeyDBAKNGSYIMCWDS-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
CID 62725099
2-[(2,5-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111076
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190
2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383072
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
CID 154832939
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973824
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
CID 63522510
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine (CID 82111063) is 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine is CCC(CC)(CN)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is DBAKNGSYIMCWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(6-2,11-16)10-12-7-8-13(17-3)14(9-12)18-4/h7-9H,5-6,10-11,16H2,1-4H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine?
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 82111063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).