4-heptoxy-N-[(4-phenylphenyl)methyl]aniline

C26H31NO — CID 54799378

IUPAC4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
SMILESCCCCCCCOc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H31NO/c1-2-3-4-5-9-20-28-26-18-16-25(17-19-26)27-21-22-12-14-24(15-13-22)23-10-7-6-8-11-23/h6-8,10-19,27H,2-5,9,20-21H2,1H3
InChIKeyZQLFBNHFIGLXFT-UHFFFAOYSA-N
MW373.54 g/mol
LogP7.31
Rot. Bonds11

About 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline

4-heptoxy-N-[(4-phenylphenyl)methyl]aniline (PubChem CID 54799378) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
PubChem CID54799378
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
SMILESCCCCCCCOc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H31NO/c1-2-3-4-5-9-20-28-26-18-16-25(17-19-26)27-21-22-12-14-24(15-13-22)23-10-7-6-8-11-23/h6-8,10-19,27H,2-5,9,20-21H2,1H3
InChIKeyZQLFBNHFIGLXFT-UHFFFAOYSA-N
XLogP7.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
N-[(4-chlorophenyl)methyl]-4-heptoxyaniline
CID 54799311
1-pentoxy-4-phenylbenzene
CID 7021155
4-iodo-N-[(4-pentoxyphenyl)methyl]aniline
CID 28975665
N-[[4-[2,4,4,6,6,8,8-heptakis[4-[(4-heptoxyanilino)methyl]phenyl]-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]phenyl]methyl]-4-heptoxyaniline
CID 101021664
4-[(4-heptoxyphenyl)methylamino]benzoic acid
CID 13079687
4-heptoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54799736

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline (CID 54799378) is 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline is CCCCCCCOc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is ZQLFBNHFIGLXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-2-3-4-5-9-20-28-26-18-16-25(17-19-26)27-21-22-12-14-24(15-13-22)23-10-7-6-8-11-23/h6-8,10-19,27H,2-5,9,20-21H2,1H3.
What are the key properties of 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline?
4-heptoxy-N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 373.54 g/mol, XLogP of 7.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 54799378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).