(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine

C15H23NO2 — CID 81331050

IUPAC(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)C2CCC(C)O2)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)17-13-7-5-12(6-8-13)15(16)14-9-4-11(3)18-14/h5-8,10-11,14-15H,4,9,16H2,1-3H3
InChIKeyAAQBTKQMCVIRCY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds4

About (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine

(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 81331050) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine
PubChem CID81331050
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)C2CCC(C)O2)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)17-13-7-5-12(6-8-13)15(16)14-9-4-11(3)18-14/h5-8,10-11,14-15H,4,9,16H2,1-3H3
InChIKeyAAQBTKQMCVIRCY-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326497
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
CID 81329935
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine (CID 81331050) is (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(C(N)C2CCC(C)O2)cc1.
What is the InChIKey of (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is AAQBTKQMCVIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)17-13-7-5-12(6-8-13)15(16)14-9-4-11(3)18-14/h5-8,10-11,14-15H,4,9,16H2,1-3H3.
What are the key properties of (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 81331050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).