4-(1-amino-3-methylbutyl)-2-methoxyphenol

C12H19NO2 — CID 112710189

IUPAC4-(1-amino-3-methylbutyl)-2-methoxyphenol
SMILESCOc1cc(C(N)CC(C)C)ccc1O
InChIInChI=1S/C12H19NO2/c1-8(2)6-10(13)9-4-5-11(14)12(7-9)15-3/h4-5,7-8,10,14H,6,13H2,1-3H3
InChIKeyPNDGPDQGULJTFD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.45
Rot. Bonds4

About 4-(1-amino-3-methylbutyl)-2-methoxyphenol

4-(1-amino-3-methylbutyl)-2-methoxyphenol (PubChem CID 112710189) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(1-amino-3-methylbutyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1-amino-3-methylbutyl)-2-methoxyphenol
PubChem CID112710189
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(1-amino-3-methylbutyl)-2-methoxyphenol
SMILESCOc1cc(C(N)CC(C)C)ccc1O
InChIInChI=1S/C12H19NO2/c1-8(2)6-10(13)9-4-5-11(14)12(7-9)15-3/h4-5,7-8,10,14H,6,13H2,1-3H3
InChIKeyPNDGPDQGULJTFD-UHFFFAOYSA-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

5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 55112135
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methylbutyl)-2-methoxyphenol?
The IUPAC name of 4-(1-amino-3-methylbutyl)-2-methoxyphenol (CID 112710189) is 4-(1-amino-3-methylbutyl)-2-methoxyphenol.
What is the SMILES notation for 4-(1-amino-3-methylbutyl)-2-methoxyphenol?
The canonical SMILES for 4-(1-amino-3-methylbutyl)-2-methoxyphenol is COc1cc(C(N)CC(C)C)ccc1O.
What is the InChIKey of 4-(1-amino-3-methylbutyl)-2-methoxyphenol?
The InChIKey is PNDGPDQGULJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)6-10(13)9-4-5-11(14)12(7-9)15-3/h4-5,7-8,10,14H,6,13H2,1-3H3.
What are the key properties of 4-(1-amino-3-methylbutyl)-2-methoxyphenol?
4-(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 4-(1-amino-3-methylbutyl)-2-methoxyphenol is sourced from PubChem (CID 112710189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).