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

C19H23NO3 — CID 100717360

IUPAC4-[[[(1S,2S)-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+/m1/s1
InChIKeyGXUGIIDWBXFUMU-BEFAXECRSA-N
MW313.40 g/mol
LogP2.79
Rot. Bonds5

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

4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol (PubChem CID 100717360) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
PubChem CID100717360
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[[[(1S,2S)-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+/m1/s1
InChIKeyGXUGIIDWBXFUMU-BEFAXECRSA-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-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol with MolForge

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Related Compounds

4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
CID 100717336
4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol
CID 57427913
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10448999
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol (CID 100717360) is 4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[(1S,2S)-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-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
The InChIKey is GXUGIIDWBXFUMU-BEFAXECRSA-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+/m1/s1.
What are the key properties of 4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol?
4-[[[(1S,2S)-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-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 100717360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).