4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol

C17H21NO2 — CID 26348

IUPAC4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
SMILESCc1cc(C(CC(C)N)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H21NO2/c1-11-9-14(5-8-17(11)20)16(10-12(2)18)13-3-6-15(19)7-4-13/h3-9,12,16,19-20H,10,18H2,1-2H3
InChIKeyQQXUACLYCIWJIU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds4

About 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol

4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol (PubChem CID 26348) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
PubChem CID26348
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
SMILESCc1cc(C(CC(C)N)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H21NO2/c1-11-9-14(5-8-17(11)20)16(10-12(2)18)13-3-6-15(19)7-4-13/h3-9,12,16,19-20H,10,18H2,1-2H3
InChIKeyQQXUACLYCIWJIU-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol?
The IUPAC name of 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol (CID 26348) is 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol.
What is the SMILES notation for 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol?
The canonical SMILES for 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol is Cc1cc(C(CC(C)N)c2ccc(O)cc2)ccc1O.
What is the InChIKey of 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol?
The InChIKey is QQXUACLYCIWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-9-14(5-8-17(11)20)16(10-12(2)18)13-3-6-15(19)7-4-13/h3-9,12,16,19-20H,10,18H2,1-2H3.
What are the key properties of 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol?
4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol is sourced from PubChem (CID 26348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).