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

C16H17ClFNO — CID 65186435

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-5-2-3-6-11(10)16(20)12(9-19)15-13(17)7-4-8-14(15)18/h2-8,12,16,20H,9,19H2,1H3
InChIKeyJQLYLGZYCGCARU-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.56
Rot. Bonds4

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

3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 65186435) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
PubChem CID65186435
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-5-2-3-6-11(10)16(20)12(9-19)15-13(17)7-4-8-14(15)18/h2-8,12,16,20H,9,19H2,1H3
InChIKeyJQLYLGZYCGCARU-UHFFFAOYSA-N
XLogP3.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol (CID 65186435) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is JQLYLGZYCGCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-5-2-3-6-11(10)16(20)12(9-19)15-13(17)7-4-8-14(15)18/h2-8,12,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 3.56, 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-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65186435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).