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

C16H16Cl3NO — CID 81316223

IUPAC3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESCc1cc(Cl)cc(C(O)C(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H16Cl3NO/c1-9-5-10(7-11(17)6-9)16(21)12(8-20)15-13(18)3-2-4-14(15)19/h2-7,12,16,21H,8,20H2,1H3
InChIKeyQKIYRHXWDJOSRY-UHFFFAOYSA-N
MW344.67 g/mol
LogP4.73
Rot. Bonds4

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

3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 81316223) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
PubChem CID81316223
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESCc1cc(Cl)cc(C(O)C(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H16Cl3NO/c1-9-5-10(7-11(17)6-9)16(21)12(8-20)15-13(18)3-2-4-14(15)19/h2-7,12,16,21H,8,20H2,1H3
InChIKeyQKIYRHXWDJOSRY-UHFFFAOYSA-N
XLogP4.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
2-(3-chloro-5-methylphenyl)-3-methylbutan-1-amine
CID 83703370
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65184515
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol (CID 81316223) is 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol is Cc1cc(Cl)cc(C(O)C(CN)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is QKIYRHXWDJOSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-9-5-10(7-11(17)6-9)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-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol has a molecular weight of 344.67 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 81316223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).