oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine

C15H23NO4 — CID 107139267

IUPACoxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)C2CCCOC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-17-12-7-11(8-13(18-2)15(12)19-3)14(16)10-5-4-6-20-9-10/h7-8,10,14H,4-6,9,16H2,1-3H3
InChIKeyIMQRLXSBJRWCOM-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds5

About oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine

oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 107139267) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Nameoxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID107139267
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameoxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)C2CCCOC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-17-12-7-11(8-13(18-2)15(12)19-3)14(16)10-5-4-6-20-9-10/h7-8,10,14H,4-6,9,16H2,1-3H3
InChIKeyIMQRLXSBJRWCOM-UHFFFAOYSA-N
XLogP2.14
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606
[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
CID 107135528

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine (CID 107139267) is oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C(N)C2CCCOC2)cc(OC)c1OC.
What is the InChIKey of oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is IMQRLXSBJRWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-12-7-11(8-13(18-2)15(12)19-3)14(16)10-5-4-6-20-9-10/h7-8,10,14H,4-6,9,16H2,1-3H3.
What are the key properties of oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 107139267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).