N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine

C17H19FN2O2 — CID 110339208

IUPACN-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
SMILESCOc1cccc(/C=N/N(C)C)c1OCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-20(2)19-11-14-5-4-6-16(21-3)17(14)22-12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3/b19-11+
InChIKeyNFPJFZWBHDLGQG-YBFXNURJSA-N
MW302.35 g/mol
LogP3.31
Rot. Bonds6

About N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine

N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine (PubChem CID 110339208) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
PubChem CID110339208
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
SMILESCOc1cccc(/C=N/N(C)C)c1OCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-20(2)19-11-14-5-4-6-16(21-3)17(14)22-12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3/b19-11+
InChIKeyNFPJFZWBHDLGQG-YBFXNURJSA-N
XLogP3.31
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339244
N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110340270
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168529917
5-[(2E)-2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110339186
4-[[2-[(4-carboxyphenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193715
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 83951061
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 3388705
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine (CID 110339208) is N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine is COc1cccc(/C=N/N(C)C)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
The InChIKey is NFPJFZWBHDLGQG-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(2)19-11-14-5-4-6-16(21-3)17(14)22-12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3/b19-11+.
What are the key properties of N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine?
N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine has a molecular weight of 302.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110339208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).