6-(2-ethoxyphenyl)hex-5-yn-1-amine

C14H19NO — CID 106208701

IUPAC6-(2-ethoxyphenyl)hex-5-yn-1-amine
SMILESCCOc1ccccc1C#CCCCCN
InChIInChI=1S/C14H19NO/c1-2-16-14-11-7-6-10-13(14)9-5-3-4-8-12-15/h6-7,10-11H,2-4,8,12,15H2,1H3
InChIKeyLOVKLZIPARLJCX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds5

About 6-(2-ethoxyphenyl)hex-5-yn-1-amine

6-(2-ethoxyphenyl)hex-5-yn-1-amine (PubChem CID 106208701) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)hex-5-yn-1-amine
PubChem CID106208701
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-(2-ethoxyphenyl)hex-5-yn-1-amine
SMILESCCOc1ccccc1C#CCCCCN
InChIInChI=1S/C14H19NO/c1-2-16-14-11-7-6-10-13(14)9-5-3-4-8-12-15/h6-7,10-11H,2-4,8,12,15H2,1H3
InChIKeyLOVKLZIPARLJCX-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(4-bromobut-1-ynyl)-2-ethoxybenzene
CID 170465998
6-[2-(trifluoromethoxy)phenyl]hex-5-yn-1-amine
CID 114158372
3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine
CID 114497836
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
1,2-bis(oct-1-ynyl)benzene
CID 11087701
diethyl 2-(2-hept-1-ynylphenyl)propanedioate
CID 11566127
1-[(Z)-1,2-dichloroethenoxy]-2-hept-1-ynylbenzene
CID 135066870
(2-ethoxyphenyl)methanamine;undecan-1-amine
CID 158338223
2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline
CID 10802293
3-[2-(3-methylsulfonylpropoxy)phenyl]prop-2-yn-1-amine
CID 55161773
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)hex-5-yn-1-amine?
The IUPAC name of 6-(2-ethoxyphenyl)hex-5-yn-1-amine (CID 106208701) is 6-(2-ethoxyphenyl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(2-ethoxyphenyl)hex-5-yn-1-amine?
The canonical SMILES for 6-(2-ethoxyphenyl)hex-5-yn-1-amine is CCOc1ccccc1C#CCCCCN.
What is the InChIKey of 6-(2-ethoxyphenyl)hex-5-yn-1-amine?
The InChIKey is LOVKLZIPARLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-16-14-11-7-6-10-13(14)9-5-3-4-8-12-15/h6-7,10-11H,2-4,8,12,15H2,1H3.
What are the key properties of 6-(2-ethoxyphenyl)hex-5-yn-1-amine?
6-(2-ethoxyphenyl)hex-5-yn-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)hex-5-yn-1-amine is sourced from PubChem (CID 106208701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).