(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine

C13H15ClN2 — CID 69235228

IUPAC(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
SMILESNCC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C13H15ClN2/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h2,4,6,8,16H,1,3,5,7,15H2
InChIKeyMIYDPFGXKQWIAC-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.88
Rot. Bonds1

About (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine

(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine (PubChem CID 69235228) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
PubChem CID69235228
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
SMILESNCC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C13H15ClN2/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h2,4,6,8,16H,1,3,5,7,15H2
InChIKeyMIYDPFGXKQWIAC-UHFFFAOYSA-N
XLogP2.88
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine?
The IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine (CID 69235228) is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine.
What is the SMILES notation for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine?
The canonical SMILES for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine is NCC1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine?
The InChIKey is MIYDPFGXKQWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h2,4,6,8,16H,1,3,5,7,15H2.
What are the key properties of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine?
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine has a molecular weight of 234.73 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine is sourced from PubChem (CID 69235228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).