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

C14H18FNO2 — CID 104947805

IUPAC(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(C2CCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c15-10-1-2-11-12(16)8-13(18-14(11)7-10)9-3-5-17-6-4-9/h1-2,7,9,12-13H,3-6,8,16H2/t12-,13?/m1/s1
InChIKeyJUCPQDFNQCPXAG-PZORYLMUSA-N
MW251.30 g/mol
LogP2.40
Rot. Bonds1

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

(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947805) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947805
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(C2CCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c15-10-1-2-11-12(16)8-13(18-14(11)7-10)9-3-5-17-6-4-9/h1-2,7,9,12-13H,3-6,8,16H2/t12-,13?/m1/s1
InChIKeyJUCPQDFNQCPXAG-PZORYLMUSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951928
(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947810
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710240
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
CID 104945810
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 104945493
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104947805) is (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(C2CCOCC2)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JUCPQDFNQCPXAG-PZORYLMUSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-10-1-2-11-12(16)8-13(18-14(11)7-10)9-3-5-17-6-4-9/h1-2,7,9,12-13H,3-6,8,16H2/t12-,13?/m1/s1.
What are the key properties of (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 251.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).