3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol

C16H16Cl2FNO — CID 82874545

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(Cl)cc1C(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-9-5-6-10(17)7-11(9)16(21)12(8-20)15-13(18)3-2-4-14(15)19/h2-7,12,16,21H,8,20H2,1H3
InChIKeyZPKFUYGGPHAACV-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.22
Rot. Bonds4

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol (PubChem CID 82874545) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
PubChem CID82874545
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(Cl)cc1C(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-9-5-6-10(17)7-11(9)16(21)12(8-20)15-13(18)3-2-4-14(15)19/h2-7,12,16,21H,8,20H2,1H3
InChIKeyZPKFUYGGPHAACV-UHFFFAOYSA-N
XLogP4.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol (CID 82874545) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol is Cc1ccc(Cl)cc1C(O)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol?
The InChIKey is ZPKFUYGGPHAACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-9-5-6-10(17)7-11(9)16(21)12(8-20)15-13(18)3-2-4-14(15)19/h2-7,12,16,21H,8,20H2,1H3.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol has a molecular weight of 328.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 82874545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).