6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine

C22H16F6N2O2 — CID 142666093

IUPAC6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc3c(c2)CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)O3)nc1
InChIInChI=1S/C22H16F6N2O2/c23-21(24,25)13-2-5-16(17(10-13)22(26,27)28)19-6-1-12-9-15(4-7-18(12)32-19)31-20-8-3-14(29)11-30-20/h2-5,7-11,19H,1,6,29H2
InChIKeyPNGXLIBNHVVOKW-UHFFFAOYSA-N
MW454.37 g/mol
LogP6.56
Rot. Bonds3

About 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine

6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine (PubChem CID 142666093) has the molecular formula C22H16F6N2O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine
PubChem CID142666093
Molecular FormulaC22H16F6N2O2
Molecular Weight454.37 g/mol
Exact Mass454.11
IUPAC Name6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc3c(c2)CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)O3)nc1
InChIInChI=1S/C22H16F6N2O2/c23-21(24,25)13-2-5-16(17(10-13)22(26,27)28)19-6-1-12-9-15(4-7-18(12)32-19)31-20-8-3-14(29)11-30-20/h2-5,7-11,19H,1,6,29H2
InChIKeyPNGXLIBNHVVOKW-UHFFFAOYSA-N
XLogP6.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.37
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

6-[(2-methyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 14307268
5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017550
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
N,N-dimethyl-6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 69017074
6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine-3-carboxylic acid
CID 159522239
2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine
CID 69015492
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 142675808
6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine
CID 69018554
7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
CID 69016863
2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride
CID 69015094
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine?
The IUPAC name of 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine (CID 142666093) is 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine.
What is the SMILES notation for 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine?
The canonical SMILES for 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine is Nc1ccc(Oc2ccc3c(c2)CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)O3)nc1.
What is the InChIKey of 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine?
The InChIKey is PNGXLIBNHVVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O2/c23-21(24,25)13-2-5-16(17(10-13)22(26,27)28)19-6-1-12-9-15(4-7-18(12)32-19)31-20-8-3-14(29)11-30-20/h2-5,7-11,19H,1,6,29H2.
What are the key properties of 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine?
6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine has a molecular weight of 454.37 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine is sourced from PubChem (CID 142666093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).