N-hexyl-3,4,5-trimethoxyaniline

C15H25NO3 — CID 28876878

IUPACN-hexyl-3,4,5-trimethoxyaniline
SMILESCCCCCCNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-6-7-8-9-16-12-10-13(17-2)15(19-4)14(11-12)18-3/h10-11,16H,5-9H2,1-4H3
InChIKeyVAARLSPSBOCLEK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.70
Rot. Bonds9

About N-hexyl-3,4,5-trimethoxyaniline

N-hexyl-3,4,5-trimethoxyaniline (PubChem CID 28876878) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-hexyl-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-hexyl-3,4,5-trimethoxyaniline
PubChem CID28876878
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-hexyl-3,4,5-trimethoxyaniline
SMILESCCCCCCNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-6-7-8-9-16-12-10-13(17-2)15(19-4)14(11-12)18-3/h10-11,16H,5-9H2,1-4H3
InChIKeyVAARLSPSBOCLEK-UHFFFAOYSA-N
XLogP3.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,5-trimethoxyanilino)propane-1-thiol
CID 115224657
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
3,5-dimethoxy-N-pentylaniline
CID 28575532
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,4,5-trimethoxyaniline?
The IUPAC name of N-hexyl-3,4,5-trimethoxyaniline (CID 28876878) is N-hexyl-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-hexyl-3,4,5-trimethoxyaniline?
The canonical SMILES for N-hexyl-3,4,5-trimethoxyaniline is CCCCCCNc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-hexyl-3,4,5-trimethoxyaniline?
The InChIKey is VAARLSPSBOCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-6-7-8-9-16-12-10-13(17-2)15(19-4)14(11-12)18-3/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-hexyl-3,4,5-trimethoxyaniline?
N-hexyl-3,4,5-trimethoxyaniline has a molecular weight of 267.37 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3,4,5-trimethoxyaniline is sourced from PubChem (CID 28876878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).