[2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone

C22H20N2O — CID 174607430

IUPAC[2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone
SMILESCCn1c2ccccc2c2ccc(CN)c(C(=O)c3ccccc3)c21
InChIInChI=1S/C22H20N2O/c1-2-24-19-11-7-6-10-17(19)18-13-12-16(14-23)20(21(18)24)22(25)15-8-4-3-5-9-15/h3-13H,2,14,23H2,1H3
InChIKeyHAPDEXIXNLLFNB-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.50
Rot. Bonds4

About [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone

[2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone (PubChem CID 174607430) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone
PubChem CID174607430
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name[2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone
SMILESCCn1c2ccccc2c2ccc(CN)c(C(=O)c3ccccc3)c21
InChIInChI=1S/C22H20N2O/c1-2-24-19-11-7-6-10-17(19)18-13-12-16(14-23)20(21(18)24)22(25)15-8-4-3-5-9-15/h3-13H,2,14,23H2,1H3
InChIKeyHAPDEXIXNLLFNB-UHFFFAOYSA-N
XLogP4.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone?
The IUPAC name of [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone (CID 174607430) is [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone is CCn1c2ccccc2c2ccc(CN)c(C(=O)c3ccccc3)c21.
What is the InChIKey of [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone?
The InChIKey is HAPDEXIXNLLFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-2-24-19-11-7-6-10-17(19)18-13-12-16(14-23)20(21(18)24)22(25)15-8-4-3-5-9-15/h3-13H,2,14,23H2,1H3.
What are the key properties of [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone?
[2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone has a molecular weight of 328.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-9-ethylcarbazol-1-yl]-phenylmethanone is sourced from PubChem (CID 174607430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).