2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole

C15H14ClN — CID 954409

IUPAC2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
SMILESCc1cc(Cl)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H14ClN/c1-11-8-14(16)6-7-15(11)17-9-12-4-2-3-5-13(12)10-17/h2-8H,9-10H2,1H3
InChIKeyMEUIALNKJFWHSS-UHFFFAOYSA-N
MW243.74 g/mol
LogP4.17
Rot. Bonds1

About 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole

2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole (PubChem CID 954409) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
PubChem CID954409
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
SMILESCc1cc(Cl)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H14ClN/c1-11-8-14(16)6-7-15(11)17-9-12-4-2-3-5-13(12)10-17/h2-8H,9-10H2,1H3
InChIKeyMEUIALNKJFWHSS-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 114256349
2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
CID 114846605
2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
CID 114860770
1-(4-chloro-2-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545674
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
1-(4-chloro-2-methylphenyl)-4,4-dimethylpiperidin-3-one
CID 117025193
1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995
2-(2,5-difluorophenyl)-1,3-dihydroisoindole
CID 22638395
1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine
CID 101080299
3,12-bis(2,5-dimethylphenyl)-6,9-dimethyl-3,12-diazatricyclo[12.4.0.05,10]octadeca-1(18),5,7,9,14,16-hexaene
CID 619890
1-(4-chloro-2-methylphenyl)imidazolidine-2,4-dione
CID 15382317
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole (CID 954409) is 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole is Cc1cc(Cl)ccc1N1Cc2ccccc2C1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole?
The InChIKey is MEUIALNKJFWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c1-11-8-14(16)6-7-15(11)17-9-12-4-2-3-5-13(12)10-17/h2-8H,9-10H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole?
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole has a molecular weight of 243.74 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 954409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).