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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Related Compounds

2-methyl-2,3-dihydro-1H-isoindol-5-amine
CID 21988160
2-ethyl-2,3-dihydro-1H-isoindol-5-amine
CID 24278731
6-chloro-2,3-dihydro-1H-inden-5-amine
CID 22400278
2-Chloro-4,5-dimethylaniline
CID 53416768
2-propyl-2,3-dihydro-1H-isoindol-5-amine
CID 43175779
2-butyl-2,3-dihydro-1H-isoindol-5-amine
CID 43370058
7-chloro-5-fluoro-4-methyl-2,3-dihydro-1H-indole
CID 68392054
1-(5-Amino-6-chloro-1,3-dihydroisoindol-2-yl)-2,2,2-trifluoroethanone
CID 168889089
2-(2-Chloro-4-fluorophenyl)-1,3-dihydroisoindol-5-amine
CID 43370015
2-[2-Chloro-5-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43370043
2-[2-Chloro-6-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43370219
2-[(2-Chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370232

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).