5-chloro-7-methylindol-1-amine

C9H9ClN2 — CID 96628599

IUPAC5-chloro-7-methylindol-1-amine
SMILESCc1cc(Cl)cc2ccn(N)c12
InChIInChI=1S/C9H9ClN2/c1-6-4-8(10)5-7-2-3-12(11)9(6)7/h2-5H,11H2,1H3
InChIKeySCGYZPDIWZOFHQ-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.32
Rot. Bonds

About 5-chloro-7-methylindol-1-amine

5-chloro-7-methylindol-1-amine (PubChem CID 96628599) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 5-chloro-7-methylindol-1-amine.

Molecular Properties

Compound Name5-chloro-7-methylindol-1-amine
PubChem CID96628599
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name5-chloro-7-methylindol-1-amine
SMILESCc1cc(Cl)cc2ccn(N)c12
InChIInChI=1S/C9H9ClN2/c1-6-4-8(10)5-7-2-3-12(11)9(6)7/h2-5H,11H2,1H3
InChIKeySCGYZPDIWZOFHQ-UHFFFAOYSA-N
XLogP2.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-7-methylindol-1-yl)ethanamine
CID 130281365
5-chloro-1,7-dimethylindazole
CID 121266447
5,7-dimethoxyindol-1-amine
CID 96624254
5,7-dimethylindole-1-carbothioamide
CID 91417032
(5-chloro-1,7-dimethylbenzimidazol-2-yl)hydrazine
CID 84621453
5,7-dichloro-1-iodo-2-methylindole
CID 145311702
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
7-chloro-6-fluoro-1,5-dimethylindole
CID 129149052
2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84629021
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
CID 141163748
(4-chloro-2,6-dimethylphenyl)hydrazine
CID 170985099
(4-chloro-2-methylphenyl)azanium
CID 24848193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methylindol-1-amine?
The IUPAC name of 5-chloro-7-methylindol-1-amine (CID 96628599) is 5-chloro-7-methylindol-1-amine.
What is the SMILES notation for 5-chloro-7-methylindol-1-amine?
The canonical SMILES for 5-chloro-7-methylindol-1-amine is Cc1cc(Cl)cc2ccn(N)c12.
What is the InChIKey of 5-chloro-7-methylindol-1-amine?
The InChIKey is SCGYZPDIWZOFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-4-8(10)5-7-2-3-12(11)9(6)7/h2-5H,11H2,1H3.
What are the key properties of 5-chloro-7-methylindol-1-amine?
5-chloro-7-methylindol-1-amine has a molecular weight of 180.64 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methylindol-1-amine is sourced from PubChem (CID 96628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).