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

C21H24Br2N2O — CID 3125888

IUPAC1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(CNC1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H24Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2
InChIKeyKYRAOOTYQUJTIT-UHFFFAOYSA-N
MW480.24 g/mol
LogP5.60
Rot. Bonds5

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

1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 3125888) has the molecular formula C21H24Br2N2O and a molecular weight of 480.24 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID3125888
Molecular FormulaC21H24Br2N2O
Molecular Weight480.24 g/mol
Exact Mass478.03
IUPAC Name1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(CNC1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H24Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2
InChIKeyKYRAOOTYQUJTIT-UHFFFAOYSA-N
XLogP5.60
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.24
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836198
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
(S)-wiskostatin
CID 448668
3,6-Dibromo-9-(2-hydroxy-3-morpholinopropyl)carbazole
CID 567942
1-(3,6-Dibromocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802127
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2840380
1-Tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2874780
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
3,6-dibromo-9-((oxiran-2-yl)methyl)-9H-carbazole
CID 2775473
3,6-Dibromo-alpha-[(phenylamino)methyl]-9H-carbazole-9-ethanol
CID 2836187

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 3125888) is 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is OC(CNC1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is KYRAOOTYQUJTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2.
What are the key properties of 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 480.24 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 3125888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).