N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine

C19H18FNO2S — CID 157041176

IUPACN-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine
SMILESC=Nc1cc(OC)c(F)cc1C(=C)Oc1ccc(SC2CC2)cc1
InChIInChI=1S/C19H18FNO2S/c1-12(16-10-17(20)19(22-3)11-18(16)21-2)23-13-4-6-14(7-5-13)24-15-8-9-15/h4-7,10-11,15H,1-2,8-9H2,3H3
InChIKeyVEANTCNJHBVTOD-UHFFFAOYSA-N
MW343.42 g/mol
LogP5.47
Rot. Bonds7

About N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine

N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine (PubChem CID 157041176) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine
PubChem CID157041176
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine
SMILESC=Nc1cc(OC)c(F)cc1C(=C)Oc1ccc(SC2CC2)cc1
InChIInChI=1S/C19H18FNO2S/c1-12(16-10-17(20)19(22-3)11-18(16)21-2)23-13-4-6-14(7-5-13)24-15-8-9-15/h4-7,10-11,15H,1-2,8-9H2,3H3
InChIKeyVEANTCNJHBVTOD-UHFFFAOYSA-N
XLogP5.47
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
CID 145169624
4-cyclopropylsulfanyl-1,2-difluorobenzene
CID 130693987
N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
CID 31915342
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine
CID 157043786
4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene
CID 123425580
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
CID 117033267
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine?
The IUPAC name of N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine (CID 157041176) is N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine.
What is the SMILES notation for N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine?
The canonical SMILES for N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine is C=Nc1cc(OC)c(F)cc1C(=C)Oc1ccc(SC2CC2)cc1.
What is the InChIKey of N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine?
The InChIKey is VEANTCNJHBVTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-12(16-10-17(20)19(22-3)11-18(16)21-2)23-13-4-6-14(7-5-13)24-15-8-9-15/h4-7,10-11,15H,1-2,8-9H2,3H3.
What are the key properties of N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine?
N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine has a molecular weight of 343.42 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-cyclopropylsulfanylphenoxy)ethenyl]-4-fluoro-5-methoxyphenyl]methanimine is sourced from PubChem (CID 157041176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).