1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol

C20H22Br2N2O2 — CID 2874606

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
InChIKeyLAQAENADPYABIU-UHFFFAOYSA-N
MW482.22 g/mol
LogP4.45
Rot. Bonds6

About 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 2874606) has the molecular formula C20H22Br2N2O2 and a molecular weight of 482.22 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID2874606
Molecular FormulaC20H22Br2N2O2
Molecular Weight482.22 g/mol
Exact Mass480.00
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
InChIKeyLAQAENADPYABIU-UHFFFAOYSA-N
XLogP4.45
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.22
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 2874606) is 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol is OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is LAQAENADPYABIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 482.22 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 2874606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).