4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol

C19H23NO3 — CID 100717336

IUPAC4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN[C@H]2c3ccccc3CC[C@H]2CO)ccc1O
InChIInChI=1S/C19H23NO3/c1-23-18-10-13(6-9-17(18)22)11-20-19-15(12-21)8-7-14-4-2-3-5-16(14)19/h2-6,9-10,15,19-22H,7-8,11-12H2,1H3/t15-,19+/m0/s1
InChIKeyGXUGIIDWBXFUMU-HNAYVOBHSA-N
MW313.40 g/mol
LogP2.79
Rot. Bonds5

About 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol

4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol (PubChem CID 100717336) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
PubChem CID100717336
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN[C@H]2c3ccccc3CC[C@H]2CO)ccc1O
InChIInChI=1S/C19H23NO3/c1-23-18-10-13(6-9-17(18)22)11-20-19-15(12-21)8-7-14-4-2-3-5-16(14)19/h2-6,9-10,15,19-22H,7-8,11-12H2,1H3/t15-,19+/m0/s1
InChIKeyGXUGIIDWBXFUMU-HNAYVOBHSA-N
XLogP2.79
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol (CID 100717336) is 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol is COc1cc(CN[C@H]2c3ccccc3CC[C@H]2CO)ccc1O.
What is the InChIKey of 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
The InChIKey is GXUGIIDWBXFUMU-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-18-10-13(6-9-17(18)22)11-20-19-15(12-21)8-7-14-4-2-3-5-16(14)19/h2-6,9-10,15,19-22H,7-8,11-12H2,1H3/t15-,19+/m0/s1.
What are the key properties of 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol has a molecular weight of 313.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 100717336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).