[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium

C19H23Cl2N2O+ — CID 7478117

IUPAC[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
SMILESCC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-3-12(2)22-10-15(24)11-23-18-6-4-13(20)8-16(18)17-9-14(21)5-7-19(17)23/h4-9,12,15,22,24H,3,10-11H2,1-2H3/p+1/t12-,15+/m0/s1
InChIKeyCRSBMRJNJIXPFW-SWLSCSKDSA-O
MW366.31 g/mol
LogP3.82
Rot. Bonds6

About [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium

[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium (PubChem CID 7478117) has the molecular formula C19H23Cl2N2O+ and a molecular weight of 366.31 g/mol. Its IUPAC name is [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
PubChem CID7478117
Molecular FormulaC19H23Cl2N2O+
Molecular Weight366.31 g/mol
Exact Mass365.12
IUPAC Name[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
SMILESCC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-3-12(2)22-10-15(24)11-23-18-6-4-13(20)8-16(18)17-9-14(21)5-7-19(17)23/h4-9,12,15,22,24H,3,10-11H2,1-2H3/p+1/t12-,15+/m0/s1
InChIKeyCRSBMRJNJIXPFW-SWLSCSKDSA-O
XLogP3.82
TPSA41.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium with MolForge

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Related Compounds

1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol
CID 123728166
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
(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
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(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-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 2274367
1-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-4,6-dimethylpyrimidin-2-one
CID 1351145

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
The IUPAC name of [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium (CID 7478117) is [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium.
What is the SMILES notation for [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
The canonical SMILES for [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium is CC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
The InChIKey is CRSBMRJNJIXPFW-SWLSCSKDSA-O. The full InChI is InChI=1S/C19H22Cl2N2O/c1-3-12(2)22-10-15(24)11-23-18-6-4-13(20)8-16(18)17-9-14(21)5-7-19(17)23/h4-9,12,15,22,24H,3,10-11H2,1-2H3/p+1/t12-,15+/m0/s1.
What are the key properties of [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium has a molecular weight of 366.31 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7478117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).