2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol

C9H10Br2ClNO2 — CID 168636765

IUPAC2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol
SMILESOc1c(Br)cc(NCC(O)CCl)cc1Br
InChIInChI=1S/C9H10Br2ClNO2/c10-7-1-5(2-8(11)9(7)15)13-4-6(14)3-12/h1-2,6,13-15H,3-4H2
InChIKeyRDRNYDYEUSEKQA-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.93
Rot. Bonds4

About 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol

2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol (PubChem CID 168636765) has the molecular formula C9H10Br2ClNO2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol
PubChem CID168636765
Molecular FormulaC9H10Br2ClNO2
Molecular Weight359.45 g/mol
Exact Mass356.88
IUPAC Name2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol
SMILESOc1c(Br)cc(NCC(O)CCl)cc1Br
InChIInChI=1S/C9H10Br2ClNO2/c10-7-1-5(2-8(11)9(7)15)13-4-6(14)3-12/h1-2,6,13-15H,3-4H2
InChIKeyRDRNYDYEUSEKQA-UHFFFAOYSA-N
XLogP2.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-chloro-5-methylanilino)-3-chloropropan-2-ol
CID 168638620
1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
CID 168636370
1-(3-bromo-5-chloro-4-ethoxyanilino)-3-chloropropan-2-ol
CID 168636791
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-anilino-3-chloropropan-2-ol
CID 3640254
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
1-chloro-3-(2,4,6-tribromo-3-methylanilino)propan-2-ol
CID 168636697
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-(2-bromo-4-propan-2-ylanilino)-3-chloropropan-2-ol
CID 168636569
2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636495

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol?
The IUPAC name of 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol (CID 168636765) is 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol?
The canonical SMILES for 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol is Oc1c(Br)cc(NCC(O)CCl)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol?
The InChIKey is RDRNYDYEUSEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2ClNO2/c10-7-1-5(2-8(11)9(7)15)13-4-6(14)3-12/h1-2,6,13-15H,3-4H2.
What are the key properties of 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol?
2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol has a molecular weight of 359.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol is sourced from PubChem (CID 168636765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).