[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine

C16H27NO2 — CID 82925951

IUPAC[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCC(CC)CC)c1
InChIInChI=1S/C16H27NO2/c1-4-9-18-15-8-7-14(11-17)16(10-15)19-12-13(5-2)6-3/h7-8,10,13H,4-6,9,11-12,17H2,1-3H3
InChIKeyJUXJNJHFNARPQX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.75
Rot. Bonds9

About [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine

[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine (PubChem CID 82925951) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
PubChem CID82925951
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCC(CC)CC)c1
InChIInChI=1S/C16H27NO2/c1-4-9-18-15-8-7-14(11-17)16(10-15)19-12-13(5-2)6-3/h7-8,10,13H,4-6,9,11-12,17H2,1-3H3
InChIKeyJUXJNJHFNARPQX-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
1-(chloromethyl)-2-(2-ethylhexoxy)-4-propoxybenzene
CID 63534849
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
CID 106436827

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine?
The IUPAC name of [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine (CID 82925951) is [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OCC(CC)CC)c1.
What is the InChIKey of [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine?
The InChIKey is JUXJNJHFNARPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-9-18-15-8-7-14(11-17)16(10-15)19-12-13(5-2)6-3/h7-8,10,13H,4-6,9,11-12,17H2,1-3H3.
What are the key properties of [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine?
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine is sourced from PubChem (CID 82925951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).