1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol

C22H22N2O — CID 3101119

IUPAC1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H22N2O/c1-16-10-12-17(13-11-16)23-14-18(25)15-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,23,25H,14-15H2,1H3
InChIKeyGZSLFJIYPFYCCU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.58
Rot. Bonds5

About 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol

1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol (PubChem CID 3101119) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol
PubChem CID3101119
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H22N2O/c1-16-10-12-17(13-11-16)23-14-18(25)15-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,23,25H,14-15H2,1H3
InChIKeyGZSLFJIYPFYCCU-UHFFFAOYSA-N
XLogP4.58
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol (CID 3101119) is 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol is Cc1ccc(NCC(O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol?
The InChIKey is GZSLFJIYPFYCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-10-12-17(13-11-16)23-14-18(25)15-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,23,25H,14-15H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol?
1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol has a molecular weight of 330.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(4-methylanilino)propan-2-ol is sourced from PubChem (CID 3101119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).