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

C19H22Br2N2O — CID 981296

IUPAC(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H22Br2N2O/c1-3-22(4-2)11-15(24)12-23-18-7-5-13(20)9-16(18)17-10-14(21)6-8-19(17)23/h5-10,15,24H,3-4,11-12H2,1-2H3/t15-/m1/s1
InChIKeyAHLOLDXAJANKQP-OAHLLOKOSA-N
MW454.21 g/mol
LogP5.02
Rot. Bonds6

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

(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol (PubChem CID 981296) has the molecular formula C19H22Br2N2O and a molecular weight of 454.21 g/mol. Its IUPAC name is (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol
PubChem CID981296
Molecular FormulaC19H22Br2N2O
Molecular Weight454.21 g/mol
Exact Mass452.01
IUPAC Name(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H22Br2N2O/c1-3-22(4-2)11-15(24)12-23-18-7-5-13(20)9-16(18)17-10-14(21)6-8-19(17)23/h5-10,15,24H,3-4,11-12H2,1-2H3/t15-/m1/s1
InChIKeyAHLOLDXAJANKQP-OAHLLOKOSA-N
XLogP5.02
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
CID 122548401
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7271909
1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851558

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol (CID 981296) is (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol is CCN(CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol?
The InChIKey is AHLOLDXAJANKQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22Br2N2O/c1-3-22(4-2)11-15(24)12-23-18-7-5-13(20)9-16(18)17-10-14(21)6-8-19(17)23/h5-10,15,24H,3-4,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol?
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol has a molecular weight of 454.21 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 981296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).