1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine

C17H29NO — CID 116725660

IUPAC1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
SMILESCCOC(C(NC)c1ccc(C)c(C)c1)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-8-19-16(17(4,5)6)15(18-7)14-10-9-12(2)13(3)11-14/h9-11,15-16,18H,8H2,1-7H3
InChIKeyLFPZTFDZLRGCQQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.02
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine

1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine (PubChem CID 116725660) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
PubChem CID116725660
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
SMILESCCOC(C(NC)c1ccc(C)c(C)c1)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-8-19-16(17(4,5)6)15(18-7)14-10-9-12(2)13(3)11-14/h9-11,15-16,18H,8H2,1-7H3
InChIKeyLFPZTFDZLRGCQQ-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
CID 116725636
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 116725452
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725875
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219
[1-(3-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273876
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 103395874
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
CID 116725574
1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724512
[2-ethoxy-1-(4-ethoxyphenyl)-3,3-dimethylbutyl]hydrazine
CID 105273710
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine (CID 116725660) is 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine is CCOC(C(NC)c1ccc(C)c(C)c1)C(C)(C)C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine?
The InChIKey is LFPZTFDZLRGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-19-16(17(4,5)6)15(18-7)14-10-9-12(2)13(3)11-14/h9-11,15-16,18H,8H2,1-7H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine?
1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 116725660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).