N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine

C19H22FN3O2 — CID 17246092

IUPACN-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-24-19-5-3-2-4-16(19)14-22-21-13-15-6-7-18(17(20)12-15)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11,14H2,1H3/b21-13+
InChIKeyCWYGGNQILDFXDB-FYJGNVAPSA-N
MW343.40 g/mol
LogP2.79
Rot. Bonds6

About N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 17246092) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID17246092
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-24-19-5-3-2-4-16(19)14-22-21-13-15-6-7-18(17(20)12-15)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11,14H2,1H3/b21-13+
InChIKeyCWYGGNQILDFXDB-FYJGNVAPSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148550
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147432
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111340640
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
CID 163329675
N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245736
1-ethyl-2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340917
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 17246092) is N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is CWYGGNQILDFXDB-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-24-19-5-3-2-4-16(19)14-22-21-13-15-6-7-18(17(20)12-15)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11,14H2,1H3/b21-13+.
What are the key properties of N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 343.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17246092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).