2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine

C17H29NO2 — CID 116725452

IUPAC2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCCOC(C(NC)c1cc(C)ccc1OC)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-8-20-16(17(3,4)5)15(18-6)13-11-12(2)9-10-14(13)19-7/h9-11,15-16,18H,8H2,1-7H3
InChIKeyNTHOKIFXSXAMDJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.72
Rot. Bonds6

About 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine

2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 116725452) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID116725452
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCCOC(C(NC)c1cc(C)ccc1OC)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-8-20-16(17(3,4)5)15(18-6)13-11-12(2)9-10-14(13)19-7/h9-11,15-16,18H,8H2,1-7H3
InChIKeyNTHOKIFXSXAMDJ-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]butanoic acid
CID 116959674
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
2-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960658
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 103395874
1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 116725660
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
CID 116725574
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
CID 64535027
1-(2-methoxy-5-methylphenyl)-2-methyl-1-(methylamino)propan-2-ol
CID 116957172
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 83155274
[1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273908
1-hydrazinyl-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 116961705

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine (CID 116725452) is 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine is CCOC(C(NC)c1cc(C)ccc1OC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is NTHOKIFXSXAMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-8-20-16(17(3,4)5)15(18-6)13-11-12(2)9-10-14(13)19-7/h9-11,15-16,18H,8H2,1-7H3.
What are the key properties of 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine?
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 116725452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).