N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline

C20H26N2O — CID 143565465

IUPACN-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
SMILESCCCCCCOc1ccc(C=NN(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-3-4-5-9-16-23-20-14-12-18(13-15-20)17-21-22(2)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3
InChIKeyBXSOEKVRAFDCFE-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.12
Rot. Bonds9

About N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline

N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline (PubChem CID 143565465) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
PubChem CID143565465
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
SMILESCCCCCCOc1ccc(C=NN(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-3-4-5-9-16-23-20-14-12-18(13-15-20)17-21-22(2)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3
InChIKeyBXSOEKVRAFDCFE-UHFFFAOYSA-N
XLogP5.12
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
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-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
pentoxybenzene;undecane
CID 174778179
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine
CID 110337853
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline?
The IUPAC name of N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline (CID 143565465) is N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline?
The canonical SMILES for N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline is CCCCCCOc1ccc(C=NN(C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline?
The InChIKey is BXSOEKVRAFDCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-4-5-9-16-23-20-14-12-18(13-15-20)17-21-22(2)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3.
What are the key properties of N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline?
N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline has a molecular weight of 310.44 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline is sourced from PubChem (CID 143565465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).