4-(6-methoxyhexylamino)phenol

C13H21NO2 — CID 162494970

IUPAC4-(6-methoxyhexylamino)phenol
SMILESCOCCCCCCNc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-16-11-5-3-2-4-10-14-12-6-8-13(15)9-7-12/h6-9,14-15H,2-5,10-11H2,1H3
InChIKeyXXLCHEBEPAZHJX-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.01
Rot. Bonds8

About 4-(6-methoxyhexylamino)phenol

4-(6-methoxyhexylamino)phenol (PubChem CID 162494970) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(6-methoxyhexylamino)phenol.

Molecular Properties

Compound Name4-(6-methoxyhexylamino)phenol
PubChem CID162494970
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(6-methoxyhexylamino)phenol
SMILESCOCCCCCCNc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-16-11-5-3-2-4-10-14-12-6-8-13(15)9-7-12/h6-9,14-15H,2-5,10-11H2,1H3
InChIKeyXXLCHEBEPAZHJX-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)aniline
CID 13042774
4-(4-methoxybutylamino)benzoic acid
CID 62232205
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
3-bromo-N-(4-methoxybutyl)-4-methylaniline
CID 115776882
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071
4-(2-propoxyethylamino)phenol
CID 162495053
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
2-bromo-4-(4-methoxybutylamino)benzenecarbothioamide
CID 107277648
4-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 62175950
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyhexylamino)phenol?
The IUPAC name of 4-(6-methoxyhexylamino)phenol (CID 162494970) is 4-(6-methoxyhexylamino)phenol.
What is the SMILES notation for 4-(6-methoxyhexylamino)phenol?
The canonical SMILES for 4-(6-methoxyhexylamino)phenol is COCCCCCCNc1ccc(O)cc1.
What is the InChIKey of 4-(6-methoxyhexylamino)phenol?
The InChIKey is XXLCHEBEPAZHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-11-5-3-2-4-10-14-12-6-8-13(15)9-7-12/h6-9,14-15H,2-5,10-11H2,1H3.
What are the key properties of 4-(6-methoxyhexylamino)phenol?
4-(6-methoxyhexylamino)phenol has a molecular weight of 223.32 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyhexylamino)phenol is sourced from PubChem (CID 162494970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).