2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine

C15H14ClFN2 — CID 43370232

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C15H14ClFN2/c16-15-6-13(17)3-1-11(15)8-19-7-10-2-4-14(18)5-12(10)9-19/h1-6H,7-9,18H2
InChIKeyCWEMMEVSRBBHFA-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.58
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine

2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 43370232) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID43370232
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C15H14ClFN2/c16-15-6-13(17)3-1-11(15)8-19-7-10-2-4-14(18)5-12(10)9-19/h1-6H,7-9,18H2
InChIKeyCWEMMEVSRBBHFA-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.58
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

7-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 90656155
3-Chloro-N-[(2-ethyl-2,3-dihydro-1H-isoindol-4-YL)methyl]-4-methylaniline
CID 23604138
2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine
CID 3159244
2-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
CID 954428
2-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 17929034
2-[4-Fluoro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 17929056
2-[4-(Trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43175747
2-[3-(Trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43175754
2-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-isoindol-5-amine
CID 43370138
4-(3-Chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole
CID 59465784
4-(3-Chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole
CID 71179629
3-(2-Chloro-6-fluorophenyl)-4-ethylaniline
CID 90774824

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine (CID 43370232) is 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(Cc1ccc(F)cc1Cl)C2.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is CWEMMEVSRBBHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-15-6-13(17)3-1-11(15)8-19-7-10-2-4-14(18)5-12(10)9-19/h1-6H,7-9,18H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 276.74 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43370232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).