3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

C15H19BrN2 — CID 68882263

IUPAC3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESNCCCn1c2c(c3cc(Br)ccc31)CCCC2
InChIInChI=1S/C15H19BrN2/c16-11-6-7-15-13(10-11)12-4-1-2-5-14(12)18(15)9-3-8-17/h6-7,10H,1-5,8-9,17H2
InChIKeyAWFMBXGOXIAUPW-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.63
Rot. Bonds3

About 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (PubChem CID 68882263) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
PubChem CID68882263
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESNCCCn1c2c(c3cc(Br)ccc31)CCCC2
InChIInChI=1S/C15H19BrN2/c16-11-6-7-15-13(10-11)12-4-1-2-5-14(12)18(15)9-3-8-17/h6-7,10H,1-5,8-9,17H2
InChIKeyAWFMBXGOXIAUPW-UHFFFAOYSA-N
XLogP3.63
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The IUPAC name of 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (CID 68882263) is 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.
What is the SMILES notation for 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The canonical SMILES for 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is NCCCn1c2c(c3cc(Br)ccc31)CCCC2.
What is the InChIKey of 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The InChIKey is AWFMBXGOXIAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-11-6-7-15-13(10-11)12-4-1-2-5-14(12)18(15)9-3-8-17/h6-7,10H,1-5,8-9,17H2.
What are the key properties of 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine has a molecular weight of 307.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is sourced from PubChem (CID 68882263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).