oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine

C15H23NO4 — CID 62905832

IUPACoxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)C2CCOCC2)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-17-11-8-12(18-2)14(13(9-11)19-3)15(16)10-4-6-20-7-5-10/h8-10,15H,4-7,16H2,1-3H3
InChIKeyRIAWIPXKMJUDQW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds5

About oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine

oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 62905832) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID62905832
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameoxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)C2CCOCC2)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-17-11-8-12(18-2)14(13(9-11)19-3)15(16)10-4-6-20-7-5-10/h8-10,15H,4-7,16H2,1-3H3
InChIKeyRIAWIPXKMJUDQW-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

(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
CID 79759527
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
CID 171314427
4-[(R)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202408
4-[(S)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221960
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine (CID 62905832) is oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)C2CCOCC2)c(OC)c1.
What is the InChIKey of oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is RIAWIPXKMJUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-11-8-12(18-2)14(13(9-11)19-3)15(16)10-4-6-20-7-5-10/h8-10,15H,4-7,16H2,1-3H3.
What are the key properties of oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine?
oxan-4-yl-(2,4,6-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-4-yl-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 62905832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).