2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol

C16H19NO3 — CID 117243992

IUPAC2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
SMILESCOc1ccccc1OCC(CN)c1ccccc1O
InChIInChI=1S/C16H19NO3/c1-19-15-8-4-5-9-16(15)20-11-12(10-17)13-6-2-3-7-14(13)18/h2-9,12,18H,10-11,17H2,1H3
InChIKeyIEZYHUUPJXAZFL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.52
Rot. Bonds6

About 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol

2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol (PubChem CID 117243992) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
PubChem CID117243992
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
SMILESCOc1ccccc1OCC(CN)c1ccccc1O
InChIInChI=1S/C16H19NO3/c1-19-15-8-4-5-9-16(15)20-11-12(10-17)13-6-2-3-7-14(13)18/h2-9,12,18H,10-11,17H2,1H3
InChIKeyIEZYHUUPJXAZFL-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-methoxyphenyl)propoxy]phenol
CID 117244895
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
2-(2-methoxyphenyl)-3-pyridin-3-yloxypropan-1-amine
CID 117244112
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
3-(2-methoxyphenoxy)-2-pyridin-3-ylpropan-1-amine
CID 112516632
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol?
The IUPAC name of 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol (CID 117243992) is 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol.
What is the SMILES notation for 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol?
The canonical SMILES for 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol is COc1ccccc1OCC(CN)c1ccccc1O.
What is the InChIKey of 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol?
The InChIKey is IEZYHUUPJXAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-15-8-4-5-9-16(15)20-11-12(10-17)13-6-2-3-7-14(13)18/h2-9,12,18H,10-11,17H2,1H3.
What are the key properties of 2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol?
2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]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-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol is sourced from PubChem (CID 117243992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).