5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine

C18H20FN3O — CID 142938073

IUPAC5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine
SMILESC/C=N/C=C(\C)c1cnc(N)c(OCc2c(C)cccc2F)c1
InChIInChI=1S/C18H20FN3O/c1-4-21-9-13(3)14-8-17(18(20)22-10-14)23-11-15-12(2)6-5-7-16(15)19/h4-10H,11H2,1-3H3,(H2,20,22)/b13-9+,21-4+
InChIKeyLJCIKUYNCOAENR-YDFWMZAJSA-N
MW313.38 g/mol
LogP4.14
Rot. Bonds5

About 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine

5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine (PubChem CID 142938073) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine
PubChem CID142938073
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine
SMILESC/C=N/C=C(\C)c1cnc(N)c(OCc2c(C)cccc2F)c1
InChIInChI=1S/C18H20FN3O/c1-4-21-9-13(3)14-8-17(18(20)22-10-14)23-11-15-12(2)6-5-7-16(15)19/h4-10H,11H2,1-3H3,(H2,20,22)/b13-9+,21-4+
InChIKeyLJCIKUYNCOAENR-YDFWMZAJSA-N
XLogP4.14
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
CID 126639458
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
4-[(2,6-dimethylphenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666471
3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783936
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
3-fluoro-2-[(2,3,5-trimethylphenoxy)methyl]aniline
CID 63331444
6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
CID 58885815
3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine
CID 126636238
5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine
CID 173171258
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine?
The IUPAC name of 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine (CID 142938073) is 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine is C/C=N/C=C(\C)c1cnc(N)c(OCc2c(C)cccc2F)c1.
What is the InChIKey of 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine?
The InChIKey is LJCIKUYNCOAENR-YDFWMZAJSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-4-21-9-13(3)14-8-17(18(20)22-10-14)23-11-15-12(2)6-5-7-16(15)19/h4-10H,11H2,1-3H3,(H2,20,22)/b13-9+,21-4+.
What are the key properties of 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine?
5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine has a molecular weight of 313.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-3-[(2-fluoro-6-methylphenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 142938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).