1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine

C15H15FN2O — CID 62367472

IUPAC1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H15FN2O/c16-10-5-6-14(12(17)9-10)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8,17H2
InChIKeyKMRUFKWARRJVTP-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.34
Rot. Bonds2

About 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine

1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine (PubChem CID 62367472) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
PubChem CID62367472
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H15FN2O/c16-10-5-6-14(12(17)9-10)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8,17H2
InChIKeyKMRUFKWARRJVTP-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine (CID 62367472) is 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine is Nc1cc(F)ccc1NC1CCOc2ccccc21.
What is the InChIKey of 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine?
The InChIKey is KMRUFKWARRJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-10-5-6-14(12(17)9-10)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8,17H2.
What are the key properties of 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine?
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine has a molecular weight of 258.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 62367472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).