N-hexyl-4-phenoxyaniline

C18H23NO — CID 28876890

IUPACN-hexyl-4-phenoxyaniline
SMILESCCCCCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-4-8-15-19-16-11-13-18(14-12-16)20-17-9-6-5-7-10-17/h5-7,9-14,19H,2-4,8,15H2,1H3
InChIKeyIIASAEKPFPNCJC-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.47
Rot. Bonds8

About N-hexyl-4-phenoxyaniline

N-hexyl-4-phenoxyaniline (PubChem CID 28876890) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-hexyl-4-phenoxyaniline.

Molecular Properties

Compound NameN-hexyl-4-phenoxyaniline
PubChem CID28876890
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-hexyl-4-phenoxyaniline
SMILESCCCCCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-4-8-15-19-16-11-13-18(14-12-16)20-17-9-6-5-7-10-17/h5-7,9-14,19H,2-4,8,15H2,1H3
InChIKeyIIASAEKPFPNCJC-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexyl-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-heptyl-4-phenoxyaniline
CID 43129191
N-butyl-4-phenoxyaniline
CID 4712110
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
N-heptyl-3-phenoxyaniline
CID 63455448
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N-(12-dodecoxydodecyl)aniline
CID 54486065

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-phenoxyaniline?
The IUPAC name of N-hexyl-4-phenoxyaniline (CID 28876890) is N-hexyl-4-phenoxyaniline.
What is the SMILES notation for N-hexyl-4-phenoxyaniline?
The canonical SMILES for N-hexyl-4-phenoxyaniline is CCCCCCNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-hexyl-4-phenoxyaniline?
The InChIKey is IIASAEKPFPNCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-4-8-15-19-16-11-13-18(14-12-16)20-17-9-6-5-7-10-17/h5-7,9-14,19H,2-4,8,15H2,1H3.
What are the key properties of N-hexyl-4-phenoxyaniline?
N-hexyl-4-phenoxyaniline has a molecular weight of 269.39 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-phenoxyaniline is sourced from PubChem (CID 28876890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).