1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine

C18H31NO — CID 116721709

IUPAC1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)C(OCC)C(C)C
InChIInChI=1S/C18H31NO/c1-7-11-19-17(18(13(3)4)20-8-2)16-12-14(5)9-10-15(16)6/h9-10,12-13,17-19H,7-8,11H2,1-6H3
InChIKeyYPDJAJHPXBHDOF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.41
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine

1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116721709) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116721709
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)C(OCC)C(C)C
InChIInChI=1S/C18H31NO/c1-7-11-19-17(18(13(3)4)20-8-2)16-12-14(5)9-10-15(16)6/h9-10,12-13,17-19H,7-8,11H2,1-6H3
InChIKeyYPDJAJHPXBHDOF-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
CID 64535027
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721618
[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
CID 107516521
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103131385
1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
CID 105017274

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine (CID 116721709) is 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine is CCCNC(c1cc(C)ccc1C)C(OCC)C(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is YPDJAJHPXBHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-11-19-17(18(13(3)4)20-8-2)16-12-14(5)9-10-15(16)6/h9-10,12-13,17-19H,7-8,11H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116721709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).