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

C18H20FNO — CID 114710317

IUPAC7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(CC1CC(N)c2ccc(F)cc2O1)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17H,9,11,20H2,1H3
InChIKeyVECBNLYZWRUOLA-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.17
Rot. Bonds3

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

7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710317) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710317
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(CC1CC(N)c2ccc(F)cc2O1)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17H,9,11,20H2,1H3
InChIKeyVECBNLYZWRUOLA-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951956
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947818
(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714792
(4S)-2-butan-2-yl-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947666
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945971
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708632
6-methyl-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715231
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 114710317) is 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(CC1CC(N)c2ccc(F)cc2O1)c1ccccc1.
What is the InChIKey of 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VECBNLYZWRUOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17H,9,11,20H2,1H3.
What are the key properties of 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).