3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol

C16H17F2NO2 — CID 65189569

IUPAC3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-21-14-4-2-10(3-5-14)16(20)15(9-19)11-6-12(17)8-13(18)7-11/h2-8,15-16,20H,9,19H2,1H3
InChIKeyWCCVRNCYTZXGCZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.75
Rot. Bonds5

About 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol

3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 65189569) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID65189569
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-21-14-4-2-10(3-5-14)16(20)15(9-19)11-6-12(17)8-13(18)7-11/h2-8,15-16,20H,9,19H2,1H3
InChIKeyWCCVRNCYTZXGCZ-UHFFFAOYSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
CID 81129593
3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107994868
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol (CID 65189569) is 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(CN)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is WCCVRNCYTZXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-21-14-4-2-10(3-5-14)16(20)15(9-19)11-6-12(17)8-13(18)7-11/h2-8,15-16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 293.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65189569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).