1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol

C22H20Br2N2O — CID 46851211

IUPAC1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol
SMILESOC(CCn1c2ccc(Br)cc2c2cc(Br)ccc21)CNc1ccccc1
InChIInChI=1S/C22H20Br2N2O/c23-15-6-8-21-19(12-15)20-13-16(24)7-9-22(20)26(21)11-10-18(27)14-25-17-4-2-1-3-5-17/h1-9,12-13,18,25,27H,10-11,14H2
InChIKeyUMQQXCMRCKAYLK-UHFFFAOYSA-N
MW488.22 g/mol
LogP6.18
Rot. Bonds6

About 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol

1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol (PubChem CID 46851211) has the molecular formula C22H20Br2N2O and a molecular weight of 488.22 g/mol. Its IUPAC name is 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol.

Molecular Properties

Compound Name1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol
PubChem CID46851211
Molecular FormulaC22H20Br2N2O
Molecular Weight488.22 g/mol
Exact Mass485.99
IUPAC Name1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol
SMILESOC(CCn1c2ccc(Br)cc2c2cc(Br)ccc21)CNc1ccccc1
InChIInChI=1S/C22H20Br2N2O/c23-15-6-8-21-19(12-15)20-13-16(24)7-9-22(20)26(21)11-10-18(27)14-25-17-4-2-1-3-5-17/h1-9,12-13,18,25,27H,10-11,14H2
InChIKeyUMQQXCMRCKAYLK-UHFFFAOYSA-N
XLogP6.18
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromocarbazol-9-yl)butane-1,2-diol
CID 59926325
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
CID 51861099
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-methoxyanilino)propan-2-ol
CID 981469
1-(3-azidoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851045
1-[(3-anilinooxiran-2-yl)amino]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 123265105
N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
CID 1098867
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
1-anilinoheptan-2-ol
CID 114998464
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
CID 71254089
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851558
1-anilino-3-chloropropan-2-ol
CID 3640254

Frequently Asked Questions

What is the IUPAC name of 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol?
The IUPAC name of 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol (CID 46851211) is 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol.
What is the SMILES notation for 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol?
The canonical SMILES for 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol is OC(CCn1c2ccc(Br)cc2c2cc(Br)ccc21)CNc1ccccc1.
What is the InChIKey of 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol?
The InChIKey is UMQQXCMRCKAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2N2O/c23-15-6-8-21-19(12-15)20-13-16(24)7-9-22(20)26(21)11-10-18(27)14-25-17-4-2-1-3-5-17/h1-9,12-13,18,25,27H,10-11,14H2.
What are the key properties of 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol?
1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol has a molecular weight of 488.22 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-4-(3,6-dibromocarbazol-9-yl)butan-2-ol is sourced from PubChem (CID 46851211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).