3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine

C15H22FN3 — CID 106033698

IUPAC3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCCN(C)C(C)C
InChIInChI=1S/C15H22FN3/c1-11(2)18(3)7-4-8-19-10-12-5-6-13(16)9-14(12)15(19)17/h5-6,9,11,17H,4,7-8,10H2,1-3H3/b17-15-
InChIKeyUWTDADDLHHHWRF-ICFOKQHNSA-N
MW263.36 g/mol
LogP2.70
Rot. Bonds5

About 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine

3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 106033698) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
PubChem CID106033698
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCCN(C)C(C)C
InChIInChI=1S/C15H22FN3/c1-11(2)18(3)7-4-8-19-10-12-5-6-13(16)9-14(12)15(19)17/h5-6,9,11,17H,4,7-8,10H2,1-3H3/b17-15-
InChIKeyUWTDADDLHHHWRF-ICFOKQHNSA-N
XLogP2.70
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.70
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

4-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 63291315
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
N-[2-(5-fluoro-3-imino-1H-isoindol-2-yl)ethyl]-N-methylcyclopropanamine
CID 63291269
N-[3-(5-fluoro-3-imino-1H-isoindol-2-yl)propyl]methanesulfonamide
CID 106337066
6-fluoro-2-(3-methoxy-2-methylpropyl)-3H-isoindol-1-imine
CID 63291313
6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
CID 63536482
2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
CID 63536640
6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
CID 63291648
6-fluoro-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3H-isoindol-1-imine
CID 55203061
6-fluoro-2-(1-methoxy-3-methylbutan-2-yl)-3H-isoindol-1-imine
CID 65049214
6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
CID 63291266
6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine
CID 63291515

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine (CID 106033698) is 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine is [H]/N=C1/c2cc(F)ccc2CN1CCCN(C)C(C)C.
What is the InChIKey of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is UWTDADDLHHHWRF-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H22FN3/c1-11(2)18(3)7-4-8-19-10-12-5-6-13(16)9-14(12)15(19)17/h5-6,9,11,17H,4,7-8,10H2,1-3H3/b17-15-.
What are the key properties of 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine?
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106033698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).