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

C16H15FN2O3 — CID 133295731

IUPAC6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(NC2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O3/c1-10-8-12(3-4-15(10)19(20)21)18-14-6-7-22-16-5-2-11(17)9-13(14)16/h2-5,8-9,14,18H,6-7H2,1H3
InChIKeyJCWIZLVSXIXIAC-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.98
Rot. Bonds3

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

6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 133295731) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID133295731
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(NC2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O3/c1-10-8-12(3-4-15(10)19(20)21)18-14-6-7-22-16-5-2-11(17)9-13(14)16/h2-5,8-9,14,18H,6-7H2,1H3
InChIKeyJCWIZLVSXIXIAC-UHFFFAOYSA-N
XLogP3.98
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.98
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-fluoro-N-(3-methylsulfonyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133401687
6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295812
N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43719468
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
N-(3-ethoxy-4-nitrophenyl)-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 133443552
4-(3-methyl-4-nitroanilino)cyclohexan-1-ol
CID 43381665
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-methylphenol
CID 107700924
(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)propane-1-sulfonamide
CID 110751326

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 133295731) is 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(NC2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-].
What is the InChIKey of 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JCWIZLVSXIXIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10-8-12(3-4-15(10)19(20)21)18-14-6-7-22-16-5-2-11(17)9-13(14)16/h2-5,8-9,14,18H,6-7H2,1H3.
What are the key properties of 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 302.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 133295731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).