N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline

C19H24N2O — CID 169381913

IUPACN-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
SMILESCCCCOc1cc(C)c(C=NNc2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O/c1-4-5-11-22-18-12-15(2)19(16(3)13-18)14-20-21-17-9-7-6-8-10-17/h6-10,12-14,21H,4-5,11H2,1-3H3
InChIKeyCVTYJNRHCWQVBR-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.93
Rot. Bonds7

About N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline

N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline (PubChem CID 169381913) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
PubChem CID169381913
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
SMILESCCCCOc1cc(C)c(C=NNc2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O/c1-4-5-11-22-18-12-15(2)19(16(3)13-18)14-20-21-17-9-7-6-8-10-17/h6-10,12-14,21H,4-5,11H2,1-3H3
InChIKeyCVTYJNRHCWQVBR-UHFFFAOYSA-N
XLogP4.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.93
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-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine
CID 168529284
4-[3,5-dimethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]butanoic acid
CID 169381839
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
ethyl 2-[2-[2-[(4-butoxy-2,6-dimethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623078
N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
CID 169381901
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842180
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline (CID 169381913) is N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline is CCCCOc1cc(C)c(C=NNc2ccccc2)c(C)c1.
What is the InChIKey of N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline?
The InChIKey is CVTYJNRHCWQVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-5-11-22-18-12-15(2)19(16(3)13-18)14-20-21-17-9-7-6-8-10-17/h6-10,12-14,21H,4-5,11H2,1-3H3.
What are the key properties of N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline?
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline has a molecular weight of 296.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).