(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol

C13H10Cl3NO — CID 129389407

IUPAC(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
SMILESNc1ccc(Cl)cc1[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6,13,18H,17H2/t13-/m0/s1
InChIKeyLLRJOLPDSYQQNJ-ZDUSSCGKSA-N
MW302.59 g/mol
LogP4.31
Rot. Bonds2

About (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol

(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol (PubChem CID 129389407) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol.

Molecular Properties

Compound Name(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
PubChem CID129389407
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
SMILESNc1ccc(Cl)cc1[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6,13,18H,17H2/t13-/m0/s1
InChIKeyLLRJOLPDSYQQNJ-ZDUSSCGKSA-N
XLogP4.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(R)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 129389406
(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
CID 130893189
(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129395304
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
3-(2-amino-5-chlorophenyl)-2,3-dihydroxypropanenitrile
CID 171869930
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
CID 105453261
(1S,2R)-1-amino-1-(2-amino-5-chlorophenyl)butan-2-ol
CID 130707571
1-(2-amino-5-chlorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873792
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825

Frequently Asked Questions

What is the IUPAC name of (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol?
The IUPAC name of (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol (CID 129389407) is (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol.
What is the SMILES notation for (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol?
The canonical SMILES for (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol is Nc1ccc(Cl)cc1[C@H](O)c1c(Cl)cccc1Cl.
What is the InChIKey of (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol?
The InChIKey is LLRJOLPDSYQQNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6,13,18H,17H2/t13-/m0/s1.
What are the key properties of (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol?
(S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol has a molecular weight of 302.59 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-amino-5-chlorophenyl)-(2,6-dichlorophenyl)methanol is sourced from PubChem (CID 129389407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).