[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine

C19H22F2N2O — CID 110449617

IUPAC[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCC(C)(C)Oc1ccc(N2Cc3cc(F)cc(F)c3C2CN)cc1
InChIInChI=1S/C19H22F2N2O/c1-19(2,3)24-15-6-4-14(5-7-15)23-11-12-8-13(20)9-16(21)18(12)17(23)10-22/h4-9,17H,10-11,22H2,1-3H3
InChIKeyNAGCWRFLLJKMBR-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.16
Rot. Bonds3

About [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine

[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110449617) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110449617
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCC(C)(C)Oc1ccc(N2Cc3cc(F)cc(F)c3C2CN)cc1
InChIInChI=1S/C19H22F2N2O/c1-19(2,3)24-15-6-4-14(5-7-15)23-11-12-8-13(20)9-16(21)18(12)17(23)10-22/h4-9,17H,10-11,22H2,1-3H3
InChIKeyNAGCWRFLLJKMBR-UHFFFAOYSA-N
XLogP4.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 110449617) is [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine is CC(C)(C)Oc1ccc(N2Cc3cc(F)cc(F)c3C2CN)cc1.
What is the InChIKey of [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is NAGCWRFLLJKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-19(2,3)24-15-6-4-14(5-7-15)23-11-12-8-13(20)9-16(21)18(12)17(23)10-22/h4-9,17H,10-11,22H2,1-3H3.
What are the key properties of [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine?
[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 332.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110449617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).