6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13FN2O3 — CID 133295812

IUPAC6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESO=[N+]([O-])c1ccc(NC2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C15H13FN2O3/c16-10-1-6-15-13(9-10)14(7-8-21-15)17-11-2-4-12(5-3-11)18(19)20/h1-6,9,14,17H,7-8H2
InChIKeyBBGNHKLVUVVDNU-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.67
Rot. Bonds3

About 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine

6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 133295812) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID133295812
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESO=[N+]([O-])c1ccc(NC2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C15H13FN2O3/c16-10-1-6-15-13(9-10)14(7-8-21-15)17-11-2-4-12(5-3-11)18(19)20/h1-6,9,14,17H,7-8H2
InChIKeyBBGNHKLVUVVDNU-UHFFFAOYSA-N
XLogP3.67
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295731
6-fluoro-N-(3-methylsulfonyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133401687
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-(methylamino)-5-nitrobenzamide
CID 94538703
N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43719468
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one
CID 133295746
2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 133295832
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-fluorobenzonitrile
CID 62316798
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 133295812) is 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine is O=[N+]([O-])c1ccc(NC2CCOc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BBGNHKLVUVVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-1-6-15-13(9-10)14(7-8-21-15)17-11-2-4-12(5-3-11)18(19)20/h1-6,9,14,17H,7-8H2.
What are the key properties of 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 133295812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).