(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine

C15H23NO4 — CID 171246211

IUPAC(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc([C@H](N)C2CCOCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-17-12-5-4-11(14(18-2)15(12)19-3)13(16)10-6-8-20-9-7-10/h4-5,10,13H,6-9,16H2,1-3H3/t13-/m1/s1
InChIKeyZRTWUGHWQCBHFM-CYBMUJFWSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds5

About (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine

(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 171246211) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID171246211
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc([C@H](N)C2CCOCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-17-12-5-4-11(14(18-2)15(12)19-3)13(16)10-6-8-20-9-7-10/h4-5,10,13H,6-9,16H2,1-3H3/t13-/m1/s1
InChIKeyZRTWUGHWQCBHFM-CYBMUJFWSA-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)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200

Frequently Asked Questions

What is the IUPAC name of (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine (CID 171246211) is (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc([C@H](N)C2CCOCC2)c(OC)c1OC.
What is the InChIKey of (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is ZRTWUGHWQCBHFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-12-5-4-11(14(18-2)15(12)19-3)13(16)10-6-8-20-9-7-10/h4-5,10,13H,6-9,16H2,1-3H3/t13-/m1/s1.
What are the key properties of (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine?
(R)-oxan-4-yl-(2,3,4-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 (R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 171246211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).