1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine

C17H29NO — CID 116759826

IUPAC1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1cccc(C)c1C
InChIInChI=1S/C17H29NO/c1-7-17(8-2,19-9-3)16(18-6)15-12-10-11-13(4)14(15)5/h10-12,16,18H,7-9H2,1-6H3
InChIKeyDGWHVXNPDFXMJB-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine

1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine (PubChem CID 116759826) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
PubChem CID116759826
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1cccc(C)c1C
InChIInChI=1S/C17H29NO/c1-7-17(8-2,19-9-3)16(18-6)15-12-10-11-13(4)14(15)5/h10-12,16,18H,7-9H2,1-6H3
InChIKeyDGWHVXNPDFXMJB-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
CID 116759979
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
2-ethoxy-2-ethyl-N-methyl-1-quinolin-8-ylbutan-1-amine
CID 116759944
[1-(2,3-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275305
[1-(2,3-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105300632
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
1-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine (CID 116759826) is 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine is CCOC(CC)(CC)C(NC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
The InChIKey is DGWHVXNPDFXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-17(8-2,19-9-3)16(18-6)15-12-10-11-13(4)14(15)5/h10-12,16,18H,7-9H2,1-6H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine?
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 116759826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).