N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline

C19H15FN2O — CID 169381600

IUPACN-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
SMILESFc1ccc(Oc2ccc(C=NNc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15FN2O/c20-16-8-12-19(13-9-16)23-18-10-6-15(7-11-18)14-21-22-17-4-2-1-3-5-17/h1-14,22H
InChIKeyKSHSUHWRORIJBA-UHFFFAOYSA-N
MW306.34 g/mol
LogP5.06
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline

N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline (PubChem CID 169381600) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
PubChem CID169381600
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
SMILESFc1ccc(Oc2ccc(C=NNc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15FN2O/c20-16-8-12-19(13-9-16)23-18-10-6-15(7-11-18)14-21-22-17-4-2-1-3-5-17/h1-14,22H
InChIKeyKSHSUHWRORIJBA-UHFFFAOYSA-N
XLogP5.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840190
4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506234
1-(4-fluorophenyl)-3-[(E)-(4-phenoxyphenyl)methylideneamino]thiourea
CID 56971231
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
CID 169383529

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline (CID 169381600) is N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline is Fc1ccc(Oc2ccc(C=NNc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline?
The InChIKey is KSHSUHWRORIJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-16-8-12-19(13-9-16)23-18-10-6-15(7-11-18)14-21-22-17-4-2-1-3-5-17/h1-14,22H.
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline?
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline has a molecular weight of 306.34 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169381600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).