2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine

C18H31NO — CID 116727223

IUPAC2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
SMILESCCCNC(c1ccc(CCC)cc1)C(C)(C)OCC
InChIInChI=1S/C18H31NO/c1-6-9-15-10-12-16(13-11-15)17(19-14-7-2)18(4,5)20-8-3/h10-13,17,19H,6-9,14H2,1-5H3
InChIKeyWKLIXXSFVDHDEO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds9

About 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine

2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine (PubChem CID 116727223) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
PubChem CID116727223
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
SMILESCCCNC(c1ccc(CCC)cc1)C(C)(C)OCC
InChIInChI=1S/C18H31NO/c1-6-9-15-10-12-16(13-11-15)17(19-14-7-2)18(4,5)20-8-3/h10-13,17,19H,6-9,14H2,1-5H3
InChIKeyWKLIXXSFVDHDEO-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethoxy-2-methyl-1-(4-propylphenyl)propyl]hydrazine
CID 105273967
1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727173
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758237
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine
CID 105273984
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 116727206

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine (CID 116727223) is 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine is CCCNC(c1ccc(CCC)cc1)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine?
The InChIKey is WKLIXXSFVDHDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-9-15-10-12-16(13-11-15)17(19-14-7-2)18(4,5)20-8-3/h10-13,17,19H,6-9,14H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine?
2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 116727223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).