N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine

C19H17F4NO2 — CID 118033776

IUPACN-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine
SMILESCCNCC1=C(c2ccc(F)cc2)c2cc(OC(F)(F)F)ccc2OC1
InChIInChI=1S/C19H17F4NO2/c1-2-24-10-13-11-25-17-8-7-15(26-19(21,22)23)9-16(17)18(13)12-3-5-14(20)6-4-12/h3-9,24H,2,10-11H2,1H3
InChIKeyCIYCWTWQODLGKX-UHFFFAOYSA-N
MW367.34 g/mol
LogP4.53
Rot. Bonds5

About N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine

N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine (PubChem CID 118033776) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine
PubChem CID118033776
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC NameN-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine
SMILESCCNCC1=C(c2ccc(F)cc2)c2cc(OC(F)(F)F)ccc2OC1
InChIInChI=1S/C19H17F4NO2/c1-2-24-10-13-11-25-17-8-7-15(26-19(21,22)23)9-16(17)18(13)12-3-5-14(20)6-4-12/h3-9,24H,2,10-11H2,1H3
InChIKeyCIYCWTWQODLGKX-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine (CID 118033776) is N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine is CCNCC1=C(c2ccc(F)cc2)c2cc(OC(F)(F)F)ccc2OC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine?
The InChIKey is CIYCWTWQODLGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO2/c1-2-24-10-13-11-25-17-8-7-15(26-19(21,22)23)9-16(17)18(13)12-3-5-14(20)6-4-12/h3-9,24H,2,10-11H2,1H3.
What are the key properties of N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine?
N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine has a molecular weight of 367.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]ethanamine is sourced from PubChem (CID 118033776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).