3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol

C16H17ClFNO2 — CID 65190720

IUPAC3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO2/c1-21-15-6-5-11(17)8-13(15)14(9-19)16(20)10-3-2-4-12(18)7-10/h2-8,14,16,20H,9,19H2,1H3
InChIKeyALADMJLYMGSLQF-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.26
Rot. Bonds5

About 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol

3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 65190720) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID65190720
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO2/c1-21-15-6-5-11(17)8-13(15)14(9-19)16(20)10-3-2-4-12(18)7-10/h2-8,14,16,20H,9,19H2,1H3
InChIKeyALADMJLYMGSLQF-UHFFFAOYSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol (CID 65190720) is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol is COc1ccc(Cl)cc1C(CN)C(O)c1cccc(F)c1.
What is the InChIKey of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is ALADMJLYMGSLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-21-15-6-5-11(17)8-13(15)14(9-19)16(20)10-3-2-4-12(18)7-10/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol?
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 309.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65190720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).