8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine

C16H14F3NO2 — CID 135373989

IUPAC8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2c(Oc3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)10-4-6-11(7-5-10)22-14-3-1-2-12-13(20)8-9-21-15(12)14/h1-7,13H,8-9,20H2
InChIKeyBCYJXXJKZKWLBH-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.28
Rot. Bonds2

About 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine

8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 135373989) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine
PubChem CID135373989
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2c(Oc3ccc(C(F)(F)F)cc3)cccc21
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)10-4-6-11(7-5-10)22-14-3-1-2-12-13(20)8-9-21-15(12)14/h1-7,13H,8-9,20H2
InChIKeyBCYJXXJKZKWLBH-UHFFFAOYSA-N
XLogP4.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 124518459
7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-amine
CID 142503947
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
8-[4-(trifluoromethyl)phenoxy]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 142503918
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
N-[8-methyl-7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
CID 135374002
(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
CID 130673760
(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 130613783
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine (CID 135373989) is 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine is NC1CCOc2c(Oc3ccc(C(F)(F)F)cc3)cccc21.
What is the InChIKey of 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BCYJXXJKZKWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)10-4-6-11(7-5-10)22-14-3-1-2-12-13(20)8-9-21-15(12)14/h1-7,13H,8-9,20H2.
What are the key properties of 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine?
8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 309.29 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 135373989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).