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

C15H23NO2 — CID 65457537

IUPAC[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCC2CCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-8-17-14-7-6-13(10-16)15(9-14)18-11-12-4-3-5-12/h6-7,9,12H,2-5,8,10-11,16H2,1H3
InChIKeySVEZFLQKKJDATI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds7

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

[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine (PubChem CID 65457537) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
PubChem CID65457537
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCC2CCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-8-17-14-7-6-13(10-16)15(9-14)18-11-12-4-3-5-12/h6-7,9,12H,2-5,8,10-11,16H2,1H3
InChIKeySVEZFLQKKJDATI-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
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-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488754
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
(3-propoxyphenoxy)methylcyclooctane
CID 69097441

Frequently Asked Questions

What is the IUPAC name of [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine?
The IUPAC name of [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine (CID 65457537) is [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OCC2CCC2)c1.
What is the InChIKey of [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine?
The InChIKey is SVEZFLQKKJDATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-8-17-14-7-6-13(10-16)15(9-14)18-11-12-4-3-5-12/h6-7,9,12H,2-5,8,10-11,16H2,1H3.
What are the key properties of [2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine?
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine has a molecular weight of 249.35 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-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine is sourced from PubChem (CID 65457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).