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

C19H18F3NO2 — CID 139445481

IUPACN-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine
SMILESCCNCC1=C(c2ccc(F)cc2)c2cc(OC(F)F)ccc2OC1
InChIInChI=1S/C19H18F3NO2/c1-2-23-10-13-11-24-17-8-7-15(25-19(21)22)9-16(17)18(13)12-3-5-14(20)6-4-12/h3-9,19,23H,2,10-11H2,1H3
InChIKeyIFNXKULAXRFCMN-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.23
Rot. Bonds6

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

N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine (PubChem CID 139445481) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine
PubChem CID139445481
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine
SMILESCCNCC1=C(c2ccc(F)cc2)c2cc(OC(F)F)ccc2OC1
InChIInChI=1S/C19H18F3NO2/c1-2-23-10-13-11-24-17-8-7-15(25-19(21)22)9-16(17)18(13)12-3-5-14(20)6-4-12/h3-9,19,23H,2,10-11H2,1H3
InChIKeyIFNXKULAXRFCMN-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 122501739
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
CID 122501736
N-[[6-(difluoromethyl)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 139445468
1-[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]ethanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
CID 157179580
N-ethyl-4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carboxamide;[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 178039595
[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 139445464
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 122470217
[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 139445471
1-[[6-(difluoromethoxy)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-2H-chromen-3-yl]methyl]-4-methylpiperazine
CID 123664869
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
[4-(4-fluorophenyl)-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;[4-(4-fluorophenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 178039044

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine (CID 139445481) is N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine is CCNCC1=C(c2ccc(F)cc2)c2cc(OC(F)F)ccc2OC1.
What is the InChIKey of N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine?
The InChIKey is IFNXKULAXRFCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-2-23-10-13-11-24-17-8-7-15(25-19(21)22)9-16(17)18(13)12-3-5-14(20)6-4-12/h3-9,19,23H,2,10-11H2,1H3.
What are the key properties of N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine?
N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine has a molecular weight of 349.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine is sourced from PubChem (CID 139445481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).