1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol

C23H24N2O2 — CID 3422206

IUPAC1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H24N2O2/c1-27-23-13-7-2-8-17(23)14-24-15-18(26)16-25-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25/h2-13,18,24,26H,14-16H2,1H3
InChIKeyJFNQPYACHVDAKM-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.95
Rot. Bonds7

About 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol

1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol (PubChem CID 3422206) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol
PubChem CID3422206
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H24N2O2/c1-27-23-13-7-2-8-17(23)14-24-15-18(26)16-25-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25/h2-13,18,24,26H,14-16H2,1H3
InChIKeyJFNQPYACHVDAKM-UHFFFAOYSA-N
XLogP3.95
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol (CID 3422206) is 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol is COc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
The InChIKey is JFNQPYACHVDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-23-13-7-2-8-17(23)14-24-15-18(26)16-25-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25/h2-13,18,24,26H,14-16H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol?
1-carbazol-9-yl-3-[(2-methoxyphenyl)methylamino]propan-2-ol has a molecular weight of 360.46 g/mol, XLogP of 3.95, 7 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-methoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 3422206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).