1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine

C15H21NO2 — CID 106226023

IUPAC1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccccc1OCCOC
InChIInChI=1S/C15H21NO2/c1-3-6-14(16)10-9-13-7-4-5-8-15(13)18-12-11-17-2/h4-5,7-8,14H,3,6,11-12,16H2,1-2H3
InChIKeyDYTIVJQVTIZZIM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine

1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine (PubChem CID 106226023) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine
PubChem CID106226023
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccccc1OCCOC
InChIInChI=1S/C15H21NO2/c1-3-6-14(16)10-9-13-7-4-5-8-15(13)18-12-11-17-2/h4-5,7-8,14H,3,6,11-12,16H2,1-2H3
InChIKeyDYTIVJQVTIZZIM-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
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

1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine
CID 114160791
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 103181830
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine
CID 104660723
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
4-(2-methoxyethoxy)-3-(2-phenylethynyl)aniline
CID 141034830
[2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]pentyl]hydrazine
CID 105271536
2-[2-(2-methylpentoxy)ethoxy]benzonitrile
CID 103283780
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine (CID 106226023) is 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine is CCCC(N)C#Cc1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine?
The InChIKey is DYTIVJQVTIZZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-6-14(16)10-9-13-7-4-5-8-15(13)18-12-11-17-2/h4-5,7-8,14H,3,6,11-12,16H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine?
1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine is sourced from PubChem (CID 106226023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).