(2-butan-2-yloxy-4-propoxyphenyl)methanamine

C14H23NO2 — CID 43472107

IUPAC(2-butan-2-yloxy-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CN)c(OC(C)CC)c1
InChIInChI=1S/C14H23NO2/c1-4-8-16-13-7-6-12(10-15)14(9-13)17-11(3)5-2/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyHVKLPDWNJLODMX-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.11
Rot. Bonds7

About (2-butan-2-yloxy-4-propoxyphenyl)methanamine

(2-butan-2-yloxy-4-propoxyphenyl)methanamine (PubChem CID 43472107) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2-butan-2-yloxy-4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-yloxy-4-propoxyphenyl)methanamine
PubChem CID43472107
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2-butan-2-yloxy-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CN)c(OC(C)CC)c1
InChIInChI=1S/C14H23NO2/c1-4-8-16-13-7-6-12(10-15)14(9-13)17-11(3)5-2/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyHVKLPDWNJLODMX-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
CID 43472100
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yloxy-4-propoxyphenyl)methanamine?
The IUPAC name of (2-butan-2-yloxy-4-propoxyphenyl)methanamine (CID 43472107) is (2-butan-2-yloxy-4-propoxyphenyl)methanamine.
What is the SMILES notation for (2-butan-2-yloxy-4-propoxyphenyl)methanamine?
The canonical SMILES for (2-butan-2-yloxy-4-propoxyphenyl)methanamine is CCCOc1ccc(CN)c(OC(C)CC)c1.
What is the InChIKey of (2-butan-2-yloxy-4-propoxyphenyl)methanamine?
The InChIKey is HVKLPDWNJLODMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-8-16-13-7-6-12(10-15)14(9-13)17-11(3)5-2/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of (2-butan-2-yloxy-4-propoxyphenyl)methanamine?
(2-butan-2-yloxy-4-propoxyphenyl)methanamine has a molecular weight of 237.34 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yloxy-4-propoxyphenyl)methanamine is sourced from PubChem (CID 43472107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).