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

C23H28N2O — CID 12051078

IUPAC1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN(C)C
InChIInChI=1S/C23H28N2O/c1-24(2)16-18-10-7-11-22-23(18)20-14-19(26-3)12-13-21(20)25(22)15-17-8-5-4-6-9-17/h4-6,8-9,12-14,18H,7,10-11,15-16H2,1-3H3
InChIKeyRLXHAWJOGOMQQU-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.68
Rot. Bonds5

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

1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine (PubChem CID 12051078) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine
PubChem CID12051078
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN(C)C
InChIInChI=1S/C23H28N2O/c1-24(2)16-18-10-7-11-22-23(18)20-14-19(26-3)12-13-21(20)25(22)15-17-8-5-4-6-9-17/h4-6,8-9,12-14,18H,7,10-11,15-16H2,1-3H3
InChIKeyRLXHAWJOGOMQQU-UHFFFAOYSA-N
XLogP4.68
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
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 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine (CID 12051078) is 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine is COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1CN(C)C.
What is the InChIKey of 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine?
The InChIKey is RLXHAWJOGOMQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24(2)16-18-10-7-11-22-23(18)20-14-19(26-3)12-13-21(20)25(22)15-17-8-5-4-6-9-17/h4-6,8-9,12-14,18H,7,10-11,15-16H2,1-3H3.
What are the key properties of 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine?
1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine has a molecular weight of 348.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 12051078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).