(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol

C9H12Cl2N2O — CID 130713041

IUPAC(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H12Cl2N2O/c1-4(14)8(12)6-2-5(10)3-7(11)9(6)13/h2-4,8,14H,12-13H2,1H3/t4-,8-/m1/s1
InChIKeyCLFHKILRJCAACQ-SPGJFGJESA-N
MW235.11 g/mol
LogP1.96
Rot. Bonds2

About (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol

(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol (PubChem CID 130713041) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
PubChem CID130713041
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H12Cl2N2O/c1-4(14)8(12)6-2-5(10)3-7(11)9(6)13/h2-4,8,14H,12-13H2,1H3/t4-,8-/m1/s1
InChIKeyCLFHKILRJCAACQ-SPGJFGJESA-N
XLogP1.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
CID 130060995
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
(1S)-1-amino-1-(4-amino-3-bromo-5-chlorophenyl)propan-2-ol
CID 130707255
2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
CID 131173726
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
CID 131033842
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol (CID 130713041) is (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol?
The InChIKey is CLFHKILRJCAACQ-SPGJFGJESA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-4(14)8(12)6-2-5(10)3-7(11)9(6)13/h2-4,8,14H,12-13H2,1H3/t4-,8-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol?
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol has a molecular weight of 235.11 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 130713041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).