6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine

C14H19FN2O — CID 65049214

IUPAC6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1C(COC)C(C)C
InChIInChI=1S/C14H19FN2O/c1-9(2)13(8-18-3)17-7-10-4-5-11(15)6-12(10)14(17)16/h4-6,9,13,16H,7-8H2,1-3H3/b16-14+
InChIKeyFAVXWKQCRLHWNL-JQIJEIRASA-N
MW250.32 g/mol
LogP2.64
Rot. Bonds4

About 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine

6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine (PubChem CID 65049214) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine
PubChem CID65049214
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1C(COC)C(C)C
InChIInChI=1S/C14H19FN2O/c1-9(2)13(8-18-3)17-7-10-4-5-11(15)6-12(10)14(17)16/h4-6,9,13,16H,7-8H2,1-3H3/b16-14+
InChIKeyFAVXWKQCRLHWNL-JQIJEIRASA-N
XLogP2.64
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-(3-methoxy-2-methylpropyl)-3H-isoindol-1-imine
CID 63291313
6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine
CID 63291833
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
CID 106033698
4-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 63291315
6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
CID 63536482
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine
CID 63291515
6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
CID 63291648
N-[2-(5-fluoro-3-imino-1H-isoindol-2-yl)ethyl]-N-methylcyclopropanamine
CID 63291269
6-fluoro-2-(4-methoxy-2-methylphenyl)-3H-isoindol-1-imine
CID 63291223
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
CID 63291737

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine (CID 65049214) is 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1C(COC)C(C)C.
What is the InChIKey of 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine?
The InChIKey is FAVXWKQCRLHWNL-JQIJEIRASA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)13(8-18-3)17-7-10-4-5-11(15)6-12(10)14(17)16/h4-6,9,13,16H,7-8H2,1-3H3/b16-14+.
What are the key properties of 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine?
6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine has a molecular weight of 250.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine is sourced from PubChem (CID 65049214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).