2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol

C16H18FNO2 — CID 170892261

IUPAC2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
SMILESNC(CO)Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2/c17-14-5-1-13(2-6-14)11-20-16-7-3-12(4-8-16)9-15(18)10-19/h1-8,15,19H,9-11,18H2
InChIKeyJAAUVDUBJOVYIY-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.27
Rot. Bonds6

About 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol

2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 170892261) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
PubChem CID170892261
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
SMILESNC(CO)Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2/c17-14-5-1-13(2-6-14)11-20-16-7-3-12(4-8-16)9-15(18)10-19/h1-8,15,19H,9-11,18H2
InChIKeyJAAUVDUBJOVYIY-UHFFFAOYSA-N
XLogP2.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol
CID 82185811
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol (CID 170892261) is 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol is NC(CO)Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is JAAUVDUBJOVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-5-1-13(2-6-14)11-20-16-7-3-12(4-8-16)9-15(18)10-19/h1-8,15,19H,9-11,18H2.
What are the key properties of 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol?
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 275.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 170892261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).