(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine

C16H24FNO — CID 104947821

IUPAC(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCCC1C[C@@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-6-7-13-11-15(18)14-9-8-12(17)10-16(14)19-13/h8-10,13,15H,2-7,11,18H2,1H3/t13?,15-/m1/s1
InChIKeyIQGVOPNWMVJNQM-AWKYBWMHSA-N
MW265.37 g/mol
LogP4.34
Rot. Bonds6

About (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine

(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947821) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947821
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCCC1C[C@@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-6-7-13-11-15(18)14-9-8-12(17)10-16(14)19-13/h8-10,13,15H,2-7,11,18H2,1H3/t13?,15-/m1/s1
InChIKeyIQGVOPNWMVJNQM-AWKYBWMHSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
CID 114709267
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947818
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
CID 104948110
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714011
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine (CID 104947821) is (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine is CCCCCCCC1C[C@@H](N)c2ccc(F)cc2O1.
What is the InChIKey of (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IQGVOPNWMVJNQM-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-3-4-5-6-7-13-11-15(18)14-9-8-12(17)10-16(14)19-13/h8-10,13,15H,2-7,11,18H2,1H3/t13?,15-/m1/s1.
What are the key properties of (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 265.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).