1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine

C17H29NO — CID 63505527

IUPAC1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1cc(C)ccc1OCC)C(CC)CC
InChIInChI=1S/C17H29NO/c1-6-14(7-2)17(18-8-3)15-12-13(5)10-11-16(15)19-9-4/h10-12,14,17-18H,6-9H2,1-5H3
InChIKeyOPEZNDHNOZMMFO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds8

About 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine

1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine (PubChem CID 63505527) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
PubChem CID63505527
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1cc(C)ccc1OCC)C(CC)CC
InChIInChI=1S/C17H29NO/c1-6-14(7-2)17(18-8-3)15-12-13(5)10-11-16(15)19-9-4/h10-12,14,17-18H,6-9H2,1-5H3
InChIKeyOPEZNDHNOZMMFO-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 105013849
1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 43493531
1-(2-ethoxy-5-methylphenyl)-N-ethylheptan-1-amine
CID 114752520
[2-ethyl-1-(2-methoxy-5-methylphenyl)butyl]hydrazine
CID 105303451
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-[(2-ethoxy-5-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62302327
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
N-[(2,5-dimethylfuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 62303504
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine (CID 63505527) is 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine is CCNC(c1cc(C)ccc1OCC)C(CC)CC.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine?
The InChIKey is OPEZNDHNOZMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-14(7-2)17(18-8-3)15-12-13(5)10-11-16(15)19-9-4/h10-12,14,17-18H,6-9H2,1-5H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine?
1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 63505527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).