4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide

C19H22FN3O — CID 142410841

IUPAC4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1cc(C)c(-c2ccc(F)c3c2CCC3O)c(C)c1
InChIInChI=1S/C19H22FN3O/c1-10-8-12(19(21)23-22-3)9-11(2)17(10)13-4-6-15(20)18-14(13)5-7-16(18)24/h4,6,8-9,16,22,24H,5,7H2,1-3H3,(H2,21,23)
InChIKeyMOQDQWYVONAWFQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.93
Rot. Bonds3

About 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide

4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide (PubChem CID 142410841) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide
PubChem CID142410841
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1cc(C)c(-c2ccc(F)c3c2CCC3O)c(C)c1
InChIInChI=1S/C19H22FN3O/c1-10-8-12(19(21)23-22-3)9-11(2)17(10)13-4-6-15(20)18-14(13)5-7-16(18)24/h4,6,8-9,16,22,24H,5,7H2,1-3H3,(H2,21,23)
InChIKeyMOQDQWYVONAWFQ-UHFFFAOYSA-N
XLogP2.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide (CID 142410841) is 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide is CN/N=C(\N)c1cc(C)c(-c2ccc(F)c3c2CCC3O)c(C)c1.
What is the InChIKey of 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
The InChIKey is MOQDQWYVONAWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-10-8-12(19(21)23-22-3)9-11(2)17(10)13-4-6-15(20)18-14(13)5-7-16(18)24/h4,6,8-9,16,22,24H,5,7H2,1-3H3,(H2,21,23).
What are the key properties of 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide has a molecular weight of 327.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 142410841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).