(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol

C22H20Br2N2O2 — CID 1100216

IUPAC(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol
SMILESCOc1cccc(NC[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3/t17-/m1/s1
InChIKeyLEICNUMXFWNCSJ-QGZVFWFLSA-N
MW504.22 g/mol
LogP5.80
Rot. Bonds6

About (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol

(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol (PubChem CID 1100216) has the molecular formula C22H20Br2N2O2 and a molecular weight of 504.22 g/mol. Its IUPAC name is (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol
PubChem CID1100216
Molecular FormulaC22H20Br2N2O2
Molecular Weight504.22 g/mol
Exact Mass501.99
IUPAC Name(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol
SMILESCOc1cccc(NC[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3/t17-/m1/s1
InChIKeyLEICNUMXFWNCSJ-QGZVFWFLSA-N
XLogP5.80
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol (CID 1100216) is (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol is COc1cccc(NC[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol?
The InChIKey is LEICNUMXFWNCSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol?
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol has a molecular weight of 504.22 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol is sourced from PubChem (CID 1100216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).