2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine

C17H29NO2 — CID 116721568

IUPAC2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(OCC)C(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-16(17(12(3)4)20-8-2)15-10-9-14(19-6)11-13(15)5/h9-12,16-18H,7-8H2,1-6H3
InChIKeyKQDBIGQZEIDARK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.72
Rot. Bonds8

About 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine

2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine (PubChem CID 116721568) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
PubChem CID116721568
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(OCC)C(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-16(17(12(3)4)20-8-2)15-10-9-14(19-6)11-13(15)5/h9-12,16-18H,7-8H2,1-6H3
InChIKeyKQDBIGQZEIDARK-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65318131
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116720357
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721383

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine (CID 116721568) is 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine is CCNC(c1ccc(OC)cc1C)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is KQDBIGQZEIDARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-18-16(17(12(3)4)20-8-2)15-10-9-14(19-6)11-13(15)5/h9-12,16-18H,7-8H2,1-6H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine?
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 116721568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).