2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine

C15H15FN2O — CID 43380983

IUPAC2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine
SMILESCOc1ccc(N2Cc3ccc(N)cc3C2)cc1F
InChIInChI=1S/C15H15FN2O/c1-19-15-5-4-13(7-14(15)16)18-8-10-2-3-12(17)6-11(10)9-18/h2-7H,8-9,17H2,1H3
InChIKeyQVNOHKHNACPBEX-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.94
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine

2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine (PubChem CID 43380983) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine
PubChem CID43380983
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine
SMILESCOc1ccc(N2Cc3ccc(N)cc3C2)cc1F
InChIInChI=1S/C15H15FN2O/c1-19-15-5-4-13(7-14(15)16)18-8-10-2-3-12(17)6-11(10)9-18/h2-7H,8-9,17H2,1H3
InChIKeyQVNOHKHNACPBEX-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 24810857
2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine
CID 82860482
2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43175747
4-(5-amino-1,3-dihydroisoindol-2-yl)-2-methylbenzonitrile
CID 81277086
2-(2-fluoro-5-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43370222
2-(2,4-difluorophenyl)-1,3-dihydroisoindol-5-amine
CID 43370159
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine
CID 70346613
1,3-dicyclopropyl-5-(3-fluoro-4-methoxyphenyl)-1,3,5-triazinane
CID 91402062
2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43175754
3-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-4-methoxyaniline
CID 156859799
2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine
CID 107589531

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine (CID 43380983) is 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine is COc1ccc(N2Cc3ccc(N)cc3C2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is QVNOHKHNACPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-19-15-5-4-13(7-14(15)16)18-8-10-2-3-12(17)6-11(10)9-18/h2-7H,8-9,17H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 258.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43380983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).