6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine

C14H19NO2 — CID 106208844

IUPAC6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
SMILESCOc1cccc(OC)c1C#CCCCCN
InChIInChI=1S/C14H19NO2/c1-16-13-9-7-10-14(17-2)12(13)8-5-3-4-6-11-15/h7,9-10H,3-4,6,11,15H2,1-2H3
InChIKeyQXUJJBGQEPSDPY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.18
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine

6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine (PubChem CID 106208844) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
PubChem CID106208844
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
SMILESCOc1cccc(OC)c1C#CCCCCN
InChIInChI=1S/C14H19NO2/c1-16-13-9-7-10-14(17-2)12(13)8-5-3-4-6-11-15/h7,9-10H,3-4,6,11,15H2,1-2H3
InChIKeyQXUJJBGQEPSDPY-UHFFFAOYSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4,6-trimethoxyphenyl)pent-4-yn-1-amine
CID 106220248
1-chloro-2-(5-chloropent-1-ynyl)-3-methoxybenzene
CID 131187600
6-(3-methylphenyl)hex-5-yn-1-amine
CID 103691725
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
5-(2,6-difluorophenyl)pent-4-yn-1-amine
CID 106220097
methyl 2-hex-1-ynyl-3-methoxybenzoate
CID 22319715
3-(2-fluoro-6-methoxyphenyl)prop-2-yne-1-thiol
CID 169486419
6-[2-(trifluoromethoxy)phenyl]hex-5-yn-1-amine
CID 114158372
5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine
CID 130565673
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-hex-1-ynyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 10828230
1-hepta-1,6-diynyl-2-methoxynaphthalene
CID 46845898

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine?
The IUPAC name of 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine (CID 106208844) is 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine is COc1cccc(OC)c1C#CCCCCN.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine?
The InChIKey is QXUJJBGQEPSDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-9-7-10-14(17-2)12(13)8-5-3-4-6-11-15/h7,9-10H,3-4,6,11,15H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine?
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine is sourced from PubChem (CID 106208844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).