(6-chloro-1H-indol-3-yl)methanamine

C9H9ClN2 — CID 28806277

IUPAC(6-chloro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H9ClN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H,4,11H2
InChIKeyNQOGRCNBNZOBAV-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.28
Rot. Bonds1

About (6-chloro-1H-indol-3-yl)methanamine

(6-chloro-1H-indol-3-yl)methanamine (PubChem CID 28806277) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)methanamine
PubChem CID28806277
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name(6-chloro-1H-indol-3-yl)methanamine
SMILESNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H9ClN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H,4,11H2
InChIKeyNQOGRCNBNZOBAV-UHFFFAOYSA-N
XLogP2.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)methanamine?
The IUPAC name of (6-chloro-1H-indol-3-yl)methanamine (CID 28806277) is (6-chloro-1H-indol-3-yl)methanamine.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)methanamine?
The canonical SMILES for (6-chloro-1H-indol-3-yl)methanamine is NCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl)methanamine?
The InChIKey is NQOGRCNBNZOBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H,4,11H2.
What are the key properties of (6-chloro-1H-indol-3-yl)methanamine?
(6-chloro-1H-indol-3-yl)methanamine has a molecular weight of 180.64 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 28806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).