3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol

C17H20FNO2 — CID 65189256

IUPAC3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(CN)C(O)c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FNO2/c1-11-6-7-16(18)14(8-11)17(20)15(10-19)12-4-3-5-13(9-12)21-2/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyISYBYEBSBHZOQP-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.92
Rot. Bonds5

About 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol

3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol (PubChem CID 65189256) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
PubChem CID65189256
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(CN)C(O)c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FNO2/c1-11-6-7-16(18)14(8-11)17(20)15(10-19)12-4-3-5-13(9-12)21-2/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyISYBYEBSBHZOQP-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
CID 66478468
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol (CID 65189256) is 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol is COc1cccc(C(CN)C(O)c2cc(C)ccc2F)c1.
What is the InChIKey of 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol?
The InChIKey is ISYBYEBSBHZOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-6-7-16(18)14(8-11)17(20)15(10-19)12-4-3-5-13(9-12)21-2/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol?
3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65189256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).