1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C19H22Cl2N2O — CID 2802133

IUPAC1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3
InChIKeyPAESBFXBNGSCDM-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.85
Rot. Bonds4

About 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2802133) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2802133
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22Cl2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3
InChIKeyPAESBFXBNGSCDM-UHFFFAOYSA-N
XLogP4.85
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 989022
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
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
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
(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
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2802133) is 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is CC(C)(C)NCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is PAESBFXBNGSCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 365.30 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2802133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).