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

C16H22N2O — CID 84742499

IUPAC(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
SMILESCOc1cc(C)cc2c3c(n(C)c12)CCCC3CN
InChIInChI=1S/C16H22N2O/c1-10-7-12-15-11(9-17)5-4-6-13(15)18(2)16(12)14(8-10)19-3/h7-8,11H,4-6,9,17H2,1-3H3
InChIKeyPHQNHRGCLKPBDA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.87
Rot. Bonds2

About (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine

(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine (PubChem CID 84742499) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine.

Molecular Properties

Compound Name(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
PubChem CID84742499
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
SMILESCOc1cc(C)cc2c3c(n(C)c12)CCCC3CN
InChIInChI=1S/C16H22N2O/c1-10-7-12-15-11(9-17)5-4-6-13(15)18(2)16(12)14(8-10)19-3/h7-8,11H,4-6,9,17H2,1-3H3
InChIKeyPHQNHRGCLKPBDA-UHFFFAOYSA-N
XLogP2.87
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.87
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 (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The IUPAC name of (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine (CID 84742499) is (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine.
What is the SMILES notation for (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The canonical SMILES for (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine is COc1cc(C)cc2c3c(n(C)c12)CCCC3CN.
What is the InChIKey of (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The InChIKey is PHQNHRGCLKPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-7-12-15-11(9-17)5-4-6-13(15)18(2)16(12)14(8-10)19-3/h7-8,11H,4-6,9,17H2,1-3H3.
What are the key properties of (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine is sourced from PubChem (CID 84742499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).