(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine

C21H24N2O — CID 12051079

IUPAC(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN
InChIInChI=1S/C21H24N2O/c1-24-17-10-11-19-18(12-17)21-16(13-22)8-5-9-20(21)23(19)14-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14,22H2,1H3
InChIKeyPFWVDEMGTZCRQF-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.08
Rot. Bonds4

About (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine

(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine (PubChem CID 12051079) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine.

Molecular Properties

Compound Name(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
PubChem CID12051079
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN
InChIInChI=1S/C21H24N2O/c1-24-17-10-11-19-18(12-17)21-16(13-22)8-5-9-20(21)23(19)14-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14,22H2,1H3
InChIKeyPFWVDEMGTZCRQF-UHFFFAOYSA-N
XLogP4.08
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The IUPAC name of (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine (CID 12051079) is (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine.
What is the SMILES notation for (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The canonical SMILES for (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine is COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN.
What is the InChIKey of (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The InChIKey is PFWVDEMGTZCRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-24-17-10-11-19-18(12-17)21-16(13-22)8-5-9-20(21)23(19)14-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14,22H2,1H3.
What are the key properties of (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine has a molecular weight of 320.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine is sourced from PubChem (CID 12051079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).