6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol

C14H19NO2 — CID 87583926

IUPAC6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol
SMILESC#CC(O)CCCc1cccc(OCCN)c1
InChIInChI=1S/C14H19NO2/c1-2-13(16)7-3-5-12-6-4-8-14(11-12)17-10-9-15/h1,4,6,8,11,13,16H,3,5,7,9-10,15H2
InChIKeyZKKZRUQUVSHFLG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.34
Rot. Bonds7

About 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol

6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol (PubChem CID 87583926) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol.

Molecular Properties

Compound Name6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol
PubChem CID87583926
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol
SMILESC#CC(O)CCCc1cccc(OCCN)c1
InChIInChI=1S/C14H19NO2/c1-2-13(16)7-3-5-12-6-4-8-14(11-12)17-10-9-15/h1,4,6,8,11,13,16H,3,5,7,9-10,15H2
InChIKeyZKKZRUQUVSHFLG-UHFFFAOYSA-N
XLogP1.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-aminoethoxy)phenyl]heptan-3-ol
CID 71016113
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
S-[[3-(2-aminoethoxy)phenyl]methyl] propanethioate;hydrochloride
CID 122440745
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
CID 155707554
1-[3-(2-aminoethoxy)phenyl]-3,3-dimethylbutan-2-one
CID 59320009

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol?
The IUPAC name of 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol (CID 87583926) is 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol.
What is the SMILES notation for 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol?
The canonical SMILES for 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol is C#CC(O)CCCc1cccc(OCCN)c1.
What is the InChIKey of 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol?
The InChIKey is ZKKZRUQUVSHFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13(16)7-3-5-12-6-4-8-14(11-12)17-10-9-15/h1,4,6,8,11,13,16H,3,5,7,9-10,15H2.
What are the key properties of 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol?
6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol is sourced from PubChem (CID 87583926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).