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

C18H20F2N2O — CID 169381901

IUPACN-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
SMILESCCCCCOc1cc(C=NNc2ccccc2)cc(F)c1F
InChIInChI=1S/C18H20F2N2O/c1-2-3-7-10-23-17-12-14(11-16(19)18(17)20)13-21-22-15-8-5-4-6-9-15/h4-6,8-9,11-13,22H,2-3,7,10H2,1H3
InChIKeyCEPCYGQDNPFZCQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.98
Rot. Bonds8

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

N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline (PubChem CID 169381901) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
PubChem CID169381901
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
SMILESCCCCCOc1cc(C=NNc2ccccc2)cc(F)c1F
InChIInChI=1S/C18H20F2N2O/c1-2-3-7-10-23-17-12-14(11-16(19)18(17)20)13-21-22-15-8-5-4-6-9-15/h4-6,8-9,11-13,22H,2-3,7,10H2,1H3
InChIKeyCEPCYGQDNPFZCQ-UHFFFAOYSA-N
XLogP4.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.98
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-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
CID 169381912
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
CID 168529285
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384801
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841736
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline (CID 169381901) is N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline is CCCCCOc1cc(C=NNc2ccccc2)cc(F)c1F.
What is the InChIKey of N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline?
The InChIKey is CEPCYGQDNPFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-2-3-7-10-23-17-12-14(11-16(19)18(17)20)13-21-22-15-8-5-4-6-9-15/h4-6,8-9,11-13,22H,2-3,7,10H2,1H3.
What are the key properties of N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline?
N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline has a molecular weight of 318.37 g/mol, XLogP of 4.98, 8 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-pentoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).