6-chloro-2-methyl-1,3-dihydroisoindol-5-amine

C9H11ClN2 — CID 90105129

IUPAC6-chloro-2-methyl-1,3-dihydroisoindol-5-amine
SMILESCN1Cc2cc(N)c(Cl)cc2C1
InChIInChI=1S/C9H11ClN2/c1-12-4-6-2-8(10)9(11)3-7(6)5-12/h2-3H,4-5,11H2,1H3
InChIKeyCZMWJTQHERYZEL-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.87
Rot. Bonds

About 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine

6-chloro-2-methyl-1,3-dihydroisoindol-5-amine (PubChem CID 90105129) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-1,3-dihydroisoindol-5-amine
PubChem CID90105129
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name6-chloro-2-methyl-1,3-dihydroisoindol-5-amine
SMILESCN1Cc2cc(N)c(Cl)cc2C1
InChIInChI=1S/C9H11ClN2/c1-12-4-6-2-8(10)9(11)3-7(6)5-12/h2-3H,4-5,11H2,1H3
InChIKeyCZMWJTQHERYZEL-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine (CID 90105129) is 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine is CN1Cc2cc(N)c(Cl)cc2C1.
What is the InChIKey of 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine?
The InChIKey is CZMWJTQHERYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-12-4-6-2-8(10)9(11)3-7(6)5-12/h2-3H,4-5,11H2,1H3.
What are the key properties of 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine?
6-chloro-2-methyl-1,3-dihydroisoindol-5-amine has a molecular weight of 182.65 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 90105129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).