4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol

C14H23NO3 — CID 171219313

IUPAC4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
SMILESCCCCC[C@H](N)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-5-6-7-11(15)10-8-12(17-2)14(16)13(9-10)18-3/h8-9,11,16H,4-7,15H2,1-3H3/t11-/m0/s1
InChIKeyNLIBZNXHFKNVBW-NSHDSACASA-N
MW253.34 g/mol
LogP2.99
Rot. Bonds7

About 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol

4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol (PubChem CID 171219313) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
PubChem CID171219313
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
SMILESCCCCC[C@H](N)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-5-6-7-11(15)10-8-12(17-2)14(16)13(9-10)18-3/h8-9,11,16H,4-7,15H2,1-3H3/t11-/m0/s1
InChIKeyNLIBZNXHFKNVBW-NSHDSACASA-N
XLogP2.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine
CID 69291505
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(3,5-dimethoxyphenyl)decan-1-amine
CID 115831732
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol (CID 171219313) is 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol is CCCCC[C@H](N)c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol?
The InChIKey is NLIBZNXHFKNVBW-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-5-6-7-11(15)10-8-12(17-2)14(16)13(9-10)18-3/h8-9,11,16H,4-7,15H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol?
4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol has a molecular weight of 253.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 171219313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).