4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride

C14H16ClNO2 — CID 69080735

IUPAC4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
SMILESCOc1ccc(C(N)c2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-17-13-8-4-11(5-9-13)14(15)10-2-6-12(16)7-3-10;/h2-9,14,16H,15H2,1H3;1H
InChIKeyXHIWBZKGPSJTJF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.87
Rot. Bonds3

About 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride

4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride (PubChem CID 69080735) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
PubChem CID69080735
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
SMILESCOc1ccc(C(N)c2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-17-13-8-4-11(5-9-13)14(15)10-2-6-12(16)7-3-10;/h2-9,14,16H,15H2,1H3;1H
InChIKeyXHIWBZKGPSJTJF-UHFFFAOYSA-N
XLogP2.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
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CID 70292826
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CID 161219857
4-methoxyphenol;4-methylphenol
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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride?
The IUPAC name of 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride (CID 69080735) is 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride?
The canonical SMILES for 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride is COc1ccc(C(N)c2ccc(O)cc2)cc1.Cl.
What is the InChIKey of 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride?
The InChIKey is XHIWBZKGPSJTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.ClH/c1-17-13-8-4-11(5-9-13)14(15)10-2-6-12(16)7-3-10;/h2-9,14,16H,15H2,1H3;1H.
What are the key properties of 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride?
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride is sourced from PubChem (CID 69080735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).