[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium

C21H27Cl2N2O+ — CID 7177141

IUPAC[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
SMILESCCC[NH+](CCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C21H26Cl2N2O/c1-3-9-24(10-4-2)13-17(26)14-25-20-7-5-15(22)11-18(20)19-12-16(23)6-8-21(19)25/h5-8,11-12,17,26H,3-4,9-10,13-14H2,1-2H3/p+1/t17-/m0/s1
InChIKeyXCONKEKFERLXAP-KRWDZBQOSA-O
MW394.37 g/mol
LogP4.17
Rot. Bonds8

About [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium

[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium (PubChem CID 7177141) has the molecular formula C21H27Cl2N2O+ and a molecular weight of 394.37 g/mol. Its IUPAC name is [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium.

Molecular Properties

Compound Name[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
PubChem CID7177141
Molecular FormulaC21H27Cl2N2O+
Molecular Weight394.37 g/mol
Exact Mass393.15
IUPAC Name[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
SMILESCCC[NH+](CCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C21H26Cl2N2O/c1-3-9-24(10-4-2)13-17(26)14-25-20-7-5-15(22)11-18(20)19-12-16(23)6-8-21(19)25/h5-8,11-12,17,26H,3-4,9-10,13-14H2,1-2H3/p+1/t17-/m0/s1
InChIKeyXCONKEKFERLXAP-KRWDZBQOSA-O
XLogP4.17
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 2274367
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
(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-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
benzyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-[(1R,2S)-2-hydroxycyclohexyl]azanium
CID 11945195
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 35726321

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium?
The IUPAC name of [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium (CID 7177141) is [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium.
What is the SMILES notation for [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium?
The canonical SMILES for [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium is CCC[NH+](CCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium?
The InChIKey is XCONKEKFERLXAP-KRWDZBQOSA-O. The full InChI is InChI=1S/C21H26Cl2N2O/c1-3-9-24(10-4-2)13-17(26)14-25-20-7-5-15(22)11-18(20)19-12-16(23)6-8-21(19)25/h5-8,11-12,17,26H,3-4,9-10,13-14H2,1-2H3/p+1/t17-/m0/s1.
What are the key properties of [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium?
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium has a molecular weight of 394.37 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium is sourced from PubChem (CID 7177141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).