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

C19H33NO — CID 116760306

IUPAC1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(C)c1C)C(CC)(CC)OCC
InChIInChI=1S/C19H33NO/c1-7-14-20-18(19(8-2,9-3)21-10-4)17-13-11-12-15(5)16(17)6/h11-13,18,20H,7-10,14H2,1-6H3
InChIKeyHZSUHCNSSHLATD-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.94
Rot. Bonds9

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

1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine (PubChem CID 116760306) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
PubChem CID116760306
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(C)c1C)C(CC)(CC)OCC
InChIInChI=1S/C19H33NO/c1-7-14-20-18(19(8-2,9-3)21-10-4)17-13-11-12-15(5)16(17)6/h11-13,18,20H,7-10,14H2,1-6H3
InChIKeyHZSUHCNSSHLATD-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 116759826
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
CID 116760420
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428
2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
CID 116759979
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
[1-(2,3-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275305
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine (CID 116760306) is 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine is CCCNC(c1cccc(C)c1C)C(CC)(CC)OCC.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The InChIKey is HZSUHCNSSHLATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-14-20-18(19(8-2,9-3)21-10-4)17-13-11-12-15(5)16(17)6/h11-13,18,20H,7-10,14H2,1-6H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.94, 9 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-propylbutan-1-amine is sourced from PubChem (CID 116760306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).