1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol

C20H22Cl2N2O2 — CID 3129553

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H22Cl2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
InChIKeyVWROENVTHCVTHF-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.23
Rot. Bonds6

About 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol

1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 3129553) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID3129553
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H22Cl2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
InChIKeyVWROENVTHCVTHF-UHFFFAOYSA-N
XLogP4.23
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[[(2S)-oxolan-2-yl]methylamino]propan-2-ol
CID 991224
(2S)-1-carbazol-9-yl-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 782148
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98121540
9-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 1085881
9-[2-hydroxy-3-(oxolan-2-ylmethylamino)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3737826
(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 41141115
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
1-[(4-chlorophenyl)-(4-methylphenyl)methoxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 143729238
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 2136180

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 3129553) is 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol is OC(CNCC1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is VWROENVTHCVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 393.31 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 3129553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).