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

C18H31NO2 — CID 103433934

IUPACN-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(c1ccc(C)c(C)c1OC)C(OC)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-9-19-15(17(21-8)18(4,5)6)14-11-10-12(2)13(3)16(14)20-7/h10-11,15,17,19H,9H2,1-8H3
InChIKeyOAWRASXCXVNZJY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.02
Rot. Bonds6

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

N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 103433934) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID103433934
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(c1ccc(C)c(C)c1OC)C(OC)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-9-19-15(17(21-8)18(4,5)6)14-11-10-12(2)13(3)16(14)20-7/h10-11,15,17,19H,9H2,1-8H3
InChIKeyOAWRASXCXVNZJY-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116725058
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine (CID 103433934) is N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine is CCNC(c1ccc(C)c(C)c1OC)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is OAWRASXCXVNZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-9-19-15(17(21-8)18(4,5)6)14-11-10-12(2)13(3)16(14)20-7/h10-11,15,17,19H,9H2,1-8H3.
What are the key properties of N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine?
N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 103433934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).