2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol

C16H19NO3 — CID 117244895

IUPAC2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
SMILESCOc1ccc(C(CN)COc2ccccc2O)cc1
InChIInChI=1S/C16H19NO3/c1-19-14-8-6-12(7-9-14)13(10-17)11-20-16-5-3-2-4-15(16)18/h2-9,13,18H,10-11,17H2,1H3
InChIKeyHTMOHKJKYYOUKD-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.52
Rot. Bonds6

About 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol

2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol (PubChem CID 117244895) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol.

Molecular Properties

Compound Name2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
PubChem CID117244895
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
SMILESCOc1ccc(C(CN)COc2ccccc2O)cc1
InChIInChI=1S/C16H19NO3/c1-19-14-8-6-12(7-9-14)13(10-17)11-20-16-5-3-2-4-15(16)18/h2-9,13,18H,10-11,17H2,1H3
InChIKeyHTMOHKJKYYOUKD-UHFFFAOYSA-N
XLogP2.52
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
2-[2-amino-2-(4-methoxyphenyl)ethoxy]phenol
CID 117244585
2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
CID 117243992
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol?
The IUPAC name of 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol (CID 117244895) is 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol.
What is the SMILES notation for 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol?
The canonical SMILES for 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol is COc1ccc(C(CN)COc2ccccc2O)cc1.
What is the InChIKey of 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol?
The InChIKey is HTMOHKJKYYOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-14-8-6-12(7-9-14)13(10-17)11-20-16-5-3-2-4-15(16)18/h2-9,13,18H,10-11,17H2,1H3.
What are the key properties of 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol?
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol has a molecular weight of 273.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol is sourced from PubChem (CID 117244895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).