2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole

C15H13Cl2N — CID 114846605

IUPAC2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
SMILESClCc1ccc(Cl)cc1N1Cc2ccccc2C1
InChIInChI=1S/C15H13Cl2N/c16-8-11-5-6-14(17)7-15(11)18-9-12-3-1-2-4-13(12)10-18/h1-7H,8-10H2
InChIKeyPMUQTLAEPDZWGI-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.60
Rot. Bonds2

About 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole

2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole (PubChem CID 114846605) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
PubChem CID114846605
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
SMILESClCc1ccc(Cl)cc1N1Cc2ccccc2C1
InChIInChI=1S/C15H13Cl2N/c16-8-11-5-6-14(17)7-15(11)18-9-12-3-1-2-4-13(12)10-18/h1-7H,8-10H2
InChIKeyPMUQTLAEPDZWGI-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
CID 114860770
1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
CID 114846295
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
1-[5-chloro-2-(chloromethyl)phenyl]-4-propan-2-ylpiperazine
CID 114846416
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
1-[5-chloro-2-(chloromethyl)phenyl]-3,3-diethylpyrrolidine
CID 114846776
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
(E)-3-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enoic acid
CID 114858440
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 115468950
4-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzaldehyde
CID 114843862
2-(2,5-difluorophenyl)-1,3-dihydroisoindole
CID 22638395

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole (CID 114846605) is 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole is ClCc1ccc(Cl)cc1N1Cc2ccccc2C1.
What is the InChIKey of 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole?
The InChIKey is PMUQTLAEPDZWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N/c16-8-11-5-6-14(17)7-15(11)18-9-12-3-1-2-4-13(12)10-18/h1-7H,8-10H2.
What are the key properties of 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole?
2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole has a molecular weight of 278.18 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole is sourced from PubChem (CID 114846605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).