N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline

C19H22F2N2O — CID 169381904

IUPACN-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
SMILESCCCCCCOc1c(F)cc(F)cc1C=NNc1ccccc1
InChIInChI=1S/C19H22F2N2O/c1-2-3-4-8-11-24-19-15(12-16(20)13-18(19)21)14-22-23-17-9-6-5-7-10-17/h5-7,9-10,12-14,23H,2-4,8,11H2,1H3
InChIKeyPBGMWXNISWOWBV-UHFFFAOYSA-N
MW332.39 g/mol
LogP5.37
Rot. Bonds9

About N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline

N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline (PubChem CID 169381904) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
PubChem CID169381904
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC NameN-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
SMILESCCCCCCOc1c(F)cc(F)cc1C=NNc1ccccc1
InChIInChI=1S/C19H22F2N2O/c1-2-3-4-8-11-24-19-15(12-16(20)13-18(19)21)14-22-23-17-9-6-5-7-10-17/h5-7,9-10,12-14,23H,2-4,8,11H2,1H3
InChIKeyPBGMWXNISWOWBV-UHFFFAOYSA-N
XLogP5.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
2-N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626009
N-[(2-butoxy-3,5-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577219
N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
CID 169381901
3,5-difluoro-2-hexoxybenzaldehyde
CID 91657786
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
1-[(3,5-difluoro-2-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384804
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
CID 136836361
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
1,3-difluoro-2-octoxy-5-phenylbenzene
CID 15176798

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline (CID 169381904) is N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline is CCCCCCOc1c(F)cc(F)cc1C=NNc1ccccc1.
What is the InChIKey of N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline?
The InChIKey is PBGMWXNISWOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-2-3-4-8-11-24-19-15(12-16(20)13-18(19)21)14-22-23-17-9-6-5-7-10-17/h5-7,9-10,12-14,23H,2-4,8,11H2,1H3.
What are the key properties of N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline?
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline has a molecular weight of 332.39 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).