1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol

C22H22N2O2 — CID 3101121

IUPAC1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol
SMILESCOc1ccccc1NCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H22N2O2/c1-26-22-13-7-4-10-19(22)23-14-16(25)15-24-20-11-5-2-8-17(20)18-9-3-6-12-21(18)24/h2-13,16,23,25H,14-15H2,1H3
InChIKeyOPDGQHAPKWKCRT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.28
Rot. Bonds6

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

1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol (PubChem CID 3101121) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol
PubChem CID3101121
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol
SMILESCOc1ccccc1NCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H22N2O2/c1-26-22-13-7-4-10-19(22)23-14-16(25)15-24-20-11-5-2-8-17(20)18-9-3-6-12-21(18)24/h2-13,16,23,25H,14-15H2,1H3
InChIKeyOPDGQHAPKWKCRT-UHFFFAOYSA-N
XLogP4.28
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol (CID 3101121) is 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol is COc1ccccc1NCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol?
The InChIKey is OPDGQHAPKWKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-22-13-7-4-10-19(22)23-14-16(25)15-24-20-11-5-2-8-17(20)18-9-3-6-12-21(18)24/h2-13,16,23,25H,14-15H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol?
1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol has a molecular weight of 346.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(2-methoxyanilino)propan-2-ol is sourced from PubChem (CID 3101121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).