N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline

C24H27NO2 — CID 54796711

IUPACN-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
SMILESCCCCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27NO2/c1-2-3-7-18-26-22-14-10-20(11-15-22)19-25-21-12-16-24(17-13-21)27-23-8-5-4-6-9-23/h4-6,8-17,25H,2-3,7,18-19H2,1H3
InChIKeyGIEWGOJOSBESAB-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.66
Rot. Bonds10

About N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline

N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline (PubChem CID 54796711) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
PubChem CID54796711
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
SMILESCCCCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27NO2/c1-2-3-7-18-26-22-14-10-20(11-15-22)19-25-21-12-16-24(17-13-21)27-23-8-5-4-6-9-23/h4-6,8-17,25H,2-3,7,18-19H2,1H3
InChIKeyGIEWGOJOSBESAB-UHFFFAOYSA-N
XLogP6.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline 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-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
CID 54799378
4-iodo-N-[(4-pentoxyphenyl)methyl]aniline
CID 28975665
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N-[(4-chlorophenyl)methyl]-4-heptoxyaniline
CID 54799311
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
N-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
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-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860

Frequently Asked Questions

What is the IUPAC name of N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline?
The IUPAC name of N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline (CID 54796711) is N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline?
The canonical SMILES for N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline is CCCCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline?
The InChIKey is GIEWGOJOSBESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-3-7-18-26-22-14-10-20(11-15-22)19-25-21-12-16-24(17-13-21)27-23-8-5-4-6-9-23/h4-6,8-17,25H,2-3,7,18-19H2,1H3.
What are the key properties of N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline?
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline has a molecular weight of 361.49 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline is sourced from PubChem (CID 54796711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).