1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine

C23H24N2O — CID 2250650

IUPAC1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21
InChIInChI=1S/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3
InChIKeyFIOIJUCPVZEPFX-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.11
Rot. Bonds6

About 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 2250650) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID2250650
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21
InChIInChI=1S/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3
InChIKeyFIOIJUCPVZEPFX-UHFFFAOYSA-N
XLogP5.11
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 2250650) is 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine is CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is FIOIJUCPVZEPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 344.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 2250650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).