1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol

C24H26N2O2 — CID 141278601

IUPAC1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol
SMILESCOc1cc(NCC(C)O)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C24H26N2O2/c1-15-5-7-23-21(9-15)22-10-16(2)6-8-24(22)26(23)19-11-18(25-14-17(3)27)12-20(13-19)28-4/h5-13,17,25,27H,14H2,1-4H3
InChIKeyVQTROCHFIHUEND-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.20
Rot. Bonds5

About 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol

1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol (PubChem CID 141278601) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol
PubChem CID141278601
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol
SMILESCOc1cc(NCC(C)O)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C24H26N2O2/c1-15-5-7-23-21(9-15)22-10-16(2)6-8-24(22)26(23)19-11-18(25-14-17(3)27)12-20(13-19)28-4/h5-13,17,25,27H,14H2,1-4H3
InChIKeyVQTROCHFIHUEND-UHFFFAOYSA-N
XLogP5.20
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
1-chloro-3-[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]propan-2-ol
CID 168637806
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol
CID 144989095

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol?
The IUPAC name of 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol (CID 141278601) is 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol.
What is the SMILES notation for 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol?
The canonical SMILES for 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol is COc1cc(NCC(C)O)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.
What is the InChIKey of 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol?
The InChIKey is VQTROCHFIHUEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-15-5-7-23-21(9-15)22-10-16(2)6-8-24(22)26(23)19-11-18(25-14-17(3)27)12-20(13-19)28-4/h5-13,17,25,27H,14H2,1-4H3.
What are the key properties of 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol?
1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol has a molecular weight of 374.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-dimethylcarbazol-9-yl)-5-methoxyanilino]propan-2-ol is sourced from PubChem (CID 141278601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).