3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine

C15H19NO2 — CID 62140094

IUPAC3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(OCCOC2CCC2)cc1
InChIInChI=1S/C15H19NO2/c16-10-2-3-13-6-8-15(9-7-13)18-12-11-17-14-4-1-5-14/h6-9,14H,1,4-5,10-12,16H2
InChIKeyWKRPBOXEIPOUTC-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.94
Rot. Bonds5

About 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine

3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine (PubChem CID 62140094) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine
PubChem CID62140094
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(OCCOC2CCC2)cc1
InChIInChI=1S/C15H19NO2/c16-10-2-3-13-6-8-15(9-7-13)18-12-11-17-14-4-1-5-14/h6-9,14H,1,4-5,10-12,16H2
InChIKeyWKRPBOXEIPOUTC-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.94
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

3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66322876
3-[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 106203786
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
3-[4-(4-methylpentoxy)phenyl]prop-2-yn-1-amine
CID 83162144
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
3-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66227177
3-[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 82955918
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
3-(4-ethoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75480678
2-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethylsulfanyl]ethanol
CID 54970369

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine (CID 62140094) is 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine is NCC#Cc1ccc(OCCOC2CCC2)cc1.
What is the InChIKey of 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine?
The InChIKey is WKRPBOXEIPOUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-10-2-3-13-6-8-15(9-7-13)18-12-11-17-14-4-1-5-14/h6-9,14H,1,4-5,10-12,16H2.
What are the key properties of 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine?
3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 62140094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).