4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol

C12H19NO2 — CID 117299254

IUPAC4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
SMILESCOc1cc(C(C)CCN)cc(C)c1O
InChIInChI=1S/C12H19NO2/c1-8(4-5-13)10-6-9(2)12(14)11(7-10)15-3/h6-8,14H,4-5,13H2,1-3H3
InChIKeyXONKERUIWRIXSA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.16
Rot. Bonds4

About 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol

4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol (PubChem CID 117299254) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
PubChem CID117299254
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
SMILESCOc1cc(C(C)CCN)cc(C)c1O
InChIInChI=1S/C12H19NO2/c1-8(4-5-13)10-6-9(2)12(14)11(7-10)15-3/h6-8,14H,4-5,13H2,1-3H3
InChIKeyXONKERUIWRIXSA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutan-2-yl)-2-methoxy-6-nitrophenol
CID 116987611
3-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328028
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
4-(1-iodobutyl)-2-methoxy-6-methylphenol
CID 142876837
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol?
The IUPAC name of 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol (CID 117299254) is 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol?
The canonical SMILES for 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol is COc1cc(C(C)CCN)cc(C)c1O.
What is the InChIKey of 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol?
The InChIKey is XONKERUIWRIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(4-5-13)10-6-9(2)12(14)11(7-10)15-3/h6-8,14H,4-5,13H2,1-3H3.
What are the key properties of 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol?
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol has a molecular weight of 209.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol is sourced from PubChem (CID 117299254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).