N-hexyl-3-(2-methoxyethoxy)aniline

C15H25NO2 — CID 54803081

IUPACN-hexyl-3-(2-methoxyethoxy)aniline
SMILESCCCCCCNc1cccc(OCCOC)c1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-10-16-14-8-7-9-15(13-14)18-12-11-17-2/h7-9,13,16H,3-6,10-12H2,1-2H3
InChIKeyNCJMXTCCPCDADA-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.70
Rot. Bonds10

About N-hexyl-3-(2-methoxyethoxy)aniline

N-hexyl-3-(2-methoxyethoxy)aniline (PubChem CID 54803081) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-hexyl-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-hexyl-3-(2-methoxyethoxy)aniline
PubChem CID54803081
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-hexyl-3-(2-methoxyethoxy)aniline
SMILESCCCCCCNc1cccc(OCCOC)c1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-10-16-14-8-7-9-15(13-14)18-12-11-17-2/h7-9,13,16H,3-6,10-12H2,1-2H3
InChIKeyNCJMXTCCPCDADA-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-octylaniline
CID 54800685
N-hexyl-3-methoxyaniline
CID 15500485
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
2-[3-(octylamino)phenoxy]acetamide
CID 43720155
3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
3-(difluoromethoxy)-N-hexylaniline
CID 43698714

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-hexyl-3-(2-methoxyethoxy)aniline (CID 54803081) is N-hexyl-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-hexyl-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-hexyl-3-(2-methoxyethoxy)aniline is CCCCCCNc1cccc(OCCOC)c1.
What is the InChIKey of N-hexyl-3-(2-methoxyethoxy)aniline?
The InChIKey is NCJMXTCCPCDADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-10-16-14-8-7-9-15(13-14)18-12-11-17-2/h7-9,13,16H,3-6,10-12H2,1-2H3.
What are the key properties of N-hexyl-3-(2-methoxyethoxy)aniline?
N-hexyl-3-(2-methoxyethoxy)aniline has a molecular weight of 251.37 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 54803081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).