4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline

C14H13FN2O — CID 3406513

IUPAC4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
SMILESCOc1cccc(C=NNc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O/c1-18-14-4-2-3-11(9-14)10-16-17-13-7-5-12(15)6-8-13/h2-10,17H,1H3
InChIKeyYEXPFDUIAIAFPD-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.28
Rot. Bonds4

About 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline

4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline (PubChem CID 3406513) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
PubChem CID3406513
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
SMILESCOc1cccc(C=NNc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O/c1-18-14-4-2-3-11(9-14)10-16-17-13-7-5-12(15)6-8-13/h2-10,17H,1H3
InChIKeyYEXPFDUIAIAFPD-UHFFFAOYSA-N
XLogP3.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.28
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

4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110506310
sodium 4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 126465894
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966012
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 73309390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline (CID 3406513) is 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline is COc1cccc(C=NNc2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline?
The InChIKey is YEXPFDUIAIAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-18-14-4-2-3-11(9-14)10-16-17-13-7-5-12(15)6-8-13/h2-10,17H,1H3.
What are the key properties of 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline?
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline has a molecular weight of 244.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 3406513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).