(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine

C15H20N2O2 — CID 171246170

IUPAC(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
SMILESCOc1ccc2[nH]cc([C@H](N)C3CCOCC3)c2c1
InChIInChI=1S/C15H20N2O2/c1-18-11-2-3-14-12(8-11)13(9-17-14)15(16)10-4-6-19-7-5-10/h2-3,8-10,15,17H,4-7,16H2,1H3/t15-/m1/s1
InChIKeyAIKFHDHEIGHUAB-OAHLLOKOSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds3

About (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine

(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine (PubChem CID 171246170) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
PubChem CID171246170
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
SMILESCOc1ccc2[nH]cc([C@H](N)C3CCOCC3)c2c1
InChIInChI=1S/C15H20N2O2/c1-18-11-2-3-14-12(8-11)13(9-17-14)15(16)10-4-6-19-7-5-10/h2-3,8-10,15,17H,4-7,16H2,1H3/t15-/m1/s1
InChIKeyAIKFHDHEIGHUAB-OAHLLOKOSA-N
XLogP2.60
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249121
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
CID 83976595
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347

Frequently Asked Questions

What is the IUPAC name of (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine (CID 171246170) is (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine is COc1ccc2[nH]cc([C@H](N)C3CCOCC3)c2c1.
What is the InChIKey of (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine?
The InChIKey is AIKFHDHEIGHUAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-11-2-3-14-12(8-11)13(9-17-14)15(16)10-4-6-19-7-5-10/h2-3,8-10,15,17H,4-7,16H2,1H3/t15-/m1/s1.
What are the key properties of (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine?
(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 171246170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).