2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine

C15H14FNO — CID 117046583

IUPAC2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine
SMILESNc1ccc2c(c1)CCC(c1ccc(F)cc1)O2
InChIInChI=1S/C15H14FNO/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14H,3,7,17H2
InChIKeyVBPHYTNSCXHDBH-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.47
Rot. Bonds1

About 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine

2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine (PubChem CID 117046583) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine
PubChem CID117046583
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine
SMILESNc1ccc2c(c1)CCC(c1ccc(F)cc1)O2
InChIInChI=1S/C15H14FNO/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14H,3,7,17H2
InChIKeyVBPHYTNSCXHDBH-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046590
2-tert-butyl-3,4-dihydro-2H-chromen-6-amine
CID 117046595
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
CID 142100009
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
CID 57170099
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 23321892
(6S)-6-(4-fluorophenyl)oxan-2-one
CID 56598080
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromene
CID 173225746

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine (CID 117046583) is 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine is Nc1ccc2c(c1)CCC(c1ccc(F)cc1)O2.
What is the InChIKey of 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is VBPHYTNSCXHDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14H,3,7,17H2.
What are the key properties of 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine?
2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 243.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 117046583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).