9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

C24H30N2O — CID 23470193

IUPAC9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCOc1cccc(CCCn2c3c(c4ccccc42)CC(N(C)C)CC3)c1
InChIInChI=1S/C24H30N2O/c1-25(2)19-13-14-24-22(17-19)21-11-4-5-12-23(21)26(24)15-7-9-18-8-6-10-20(16-18)27-3/h4-6,8,10-12,16,19H,7,9,13-15,17H2,1-3H3
InChIKeyIQQVXDIARRJIFE-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.70
Rot. Bonds6

About 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (PubChem CID 23470193) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
PubChem CID23470193
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCOc1cccc(CCCn2c3c(c4ccccc42)CC(N(C)C)CC3)c1
InChIInChI=1S/C24H30N2O/c1-25(2)19-13-14-24-22(17-19)21-11-4-5-12-23(21)26(24)15-7-9-18-8-6-10-20(16-18)27-3/h4-6,8,10-12,16,19H,7,9,13-15,17H2,1-3H3
InChIKeyIQQVXDIARRJIFE-UHFFFAOYSA-N
XLogP4.70
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.70
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 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The IUPAC name of 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (CID 23470193) is 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The canonical SMILES for 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is COc1cccc(CCCn2c3c(c4ccccc42)CC(N(C)C)CC3)c1.
What is the InChIKey of 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The InChIKey is IQQVXDIARRJIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-25(2)19-13-14-24-22(17-19)21-11-4-5-12-23(21)26(24)15-7-9-18-8-6-10-20(16-18)27-3/h4-6,8,10-12,16,19H,7,9,13-15,17H2,1-3H3.
What are the key properties of 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine has a molecular weight of 362.52 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 23470193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).