2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol

C16H18FNO2 — CID 107662111

IUPAC2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol
SMILESCc1cccc(OCC(N)(CO)c2ccccc2)c1F
InChIInChI=1S/C16H18FNO2/c1-12-6-5-9-14(15(12)17)20-11-16(18,10-19)13-7-3-2-4-8-13/h2-9,19H,10-11,18H2,1H3
InChIKeyUCHWTCHTUQFCQY-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.36
Rot. Bonds5

About 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol

2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol (PubChem CID 107662111) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol
PubChem CID107662111
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol
SMILESCc1cccc(OCC(N)(CO)c2ccccc2)c1F
InChIInChI=1S/C16H18FNO2/c1-12-6-5-9-14(15(12)17)20-11-16(18,10-19)13-7-3-2-4-8-13/h2-9,19H,10-11,18H2,1H3
InChIKeyUCHWTCHTUQFCQY-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol
CID 64809115
2-amino-3-(4-fluorophenoxy)-2-phenylpropan-1-ol
CID 64803555
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
CID 103988445
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
CID 116689725
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-amino-2-phenylpentan-1-ol
CID 61056433
ethyl 4-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 107659444
2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
CID 116695402
2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
CID 64806319

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol (CID 107662111) is 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol is Cc1cccc(OCC(N)(CO)c2ccccc2)c1F.
What is the InChIKey of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol?
The InChIKey is UCHWTCHTUQFCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12-6-5-9-14(15(12)17)20-11-16(18,10-19)13-7-3-2-4-8-13/h2-9,19H,10-11,18H2,1H3.
What are the key properties of 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol?
2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol has a molecular weight of 275.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoro-3-methylphenoxy)-2-phenylpropan-1-ol is sourced from PubChem (CID 107662111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).