benzaldehyde;4-methoxyaniline

C14H15NO2 — CID 159915454

IUPACbenzaldehyde;4-methoxyaniline
SMILESCOc1ccc(N)cc1.O=Cc1ccccc1
InChIInChI=1S/C7H9NO.C7H6O/c1-9-7-4-2-6(8)3-5-7;8-6-7-4-2-1-3-5-7/h2-5H,8H2,1H3;1-6H
InChIKeyNXSJTHRBZGWIJL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.78
Rot. Bonds2

About benzaldehyde;4-methoxyaniline

benzaldehyde;4-methoxyaniline (PubChem CID 159915454) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is benzaldehyde;4-methoxyaniline.

Molecular Properties

Compound Namebenzaldehyde;4-methoxyaniline
PubChem CID159915454
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namebenzaldehyde;4-methoxyaniline
SMILESCOc1ccc(N)cc1.O=Cc1ccccc1
InChIInChI=1S/C7H9NO.C7H6O/c1-9-7-4-2-6(8)3-5-7;8-6-7-4-2-1-3-5-7/h2-5H,8H2,1H3;1-6H
InChIKeyNXSJTHRBZGWIJL-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-methoxybenzaldehyde;toluene
CID 174462701
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
(4-aminophenyl) formate;4-methoxyaniline
CID 145416787
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane
CID 160882228

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;4-methoxyaniline?
The IUPAC name of benzaldehyde;4-methoxyaniline (CID 159915454) is benzaldehyde;4-methoxyaniline.
What is the SMILES notation for benzaldehyde;4-methoxyaniline?
The canonical SMILES for benzaldehyde;4-methoxyaniline is COc1ccc(N)cc1.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;4-methoxyaniline?
The InChIKey is NXSJTHRBZGWIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C7H6O/c1-9-7-4-2-6(8)3-5-7;8-6-7-4-2-1-3-5-7/h2-5H,8H2,1H3;1-6H.
What are the key properties of benzaldehyde;4-methoxyaniline?
benzaldehyde;4-methoxyaniline has a molecular weight of 229.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;4-methoxyaniline is sourced from PubChem (CID 159915454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).