N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline

C16H16F2N2O — CID 169381912

IUPACN-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1cc(C=NNc2ccccc2)cc(F)c1F
InChIInChI=1S/C16H16F2N2O/c1-2-8-21-15-10-12(9-14(17)16(15)18)11-19-20-13-6-4-3-5-7-13/h3-7,9-11,20H,2,8H2,1H3
InChIKeyWDKXVIWUVFSENV-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.20
Rot. Bonds6

About N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline

N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline (PubChem CID 169381912) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
PubChem CID169381912
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1cc(C=NNc2ccccc2)cc(F)c1F
InChIInChI=1S/C16H16F2N2O/c1-2-8-21-15-10-12(9-14(17)16(15)18)11-19-20-13-6-4-3-5-7-13/h3-7,9-11,20H,2,8H2,1H3
InChIKeyWDKXVIWUVFSENV-UHFFFAOYSA-N
XLogP4.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.20
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-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
CID 169381901
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110504876
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline (CID 169381912) is N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline is CCCOc1cc(C=NNc2ccccc2)cc(F)c1F.
What is the InChIKey of N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline?
The InChIKey is WDKXVIWUVFSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-8-21-15-10-12(9-14(17)16(15)18)11-19-20-13-6-4-3-5-7-13/h3-7,9-11,20H,2,8H2,1H3.
What are the key properties of N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline?
N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline has a molecular weight of 290.31 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).