5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol

C12H19NO2 — CID 171199295

IUPAC5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
SMILESCOc1ccc([C@H](N)CC(C)C)cc1O
InChIInChI=1S/C12H19NO2/c1-8(2)6-10(13)9-4-5-12(15-3)11(14)7-9/h4-5,7-8,10,14H,6,13H2,1-3H3/t10-/m1/s1
InChIKeyOOTFSRPDCJLXQZ-SNVBAGLBSA-N
MW209.29 g/mol
LogP2.45
Rot. Bonds4

About 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol

5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol (PubChem CID 171199295) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
PubChem CID171199295
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
SMILESCOc1ccc([C@H](N)CC(C)C)cc1O
InChIInChI=1S/C12H19NO2/c1-8(2)6-10(13)9-4-5-12(15-3)11(14)7-9/h4-5,7-8,10,14H,6,13H2,1-3H3/t10-/m1/s1
InChIKeyOOTFSRPDCJLXQZ-SNVBAGLBSA-N
XLogP2.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
5-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2-methoxyphenol
CID 171160749
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
(3S)-3-amino-3-(3-hydroxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171259831
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol?
The IUPAC name of 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol (CID 171199295) is 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol is COc1ccc([C@H](N)CC(C)C)cc1O.
What is the InChIKey of 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol?
The InChIKey is OOTFSRPDCJLXQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)6-10(13)9-4-5-12(15-3)11(14)7-9/h4-5,7-8,10,14H,6,13H2,1-3H3/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol?
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol has a molecular weight of 209.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol is sourced from PubChem (CID 171199295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).