(2-but-2-ynoxy-4-propoxyphenyl)methanamine

C14H19NO2 — CID 55057837

IUPAC(2-but-2-ynoxy-4-propoxyphenyl)methanamine
SMILESCC#CCOc1cc(OCCC)ccc1CN
InChIInChI=1S/C14H19NO2/c1-3-5-9-17-14-10-13(16-8-4-2)7-6-12(14)11-15/h6-7,10H,4,8-9,11,15H2,1-2H3
InChIKeyFLULXHFDEASPTB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds6

About (2-but-2-ynoxy-4-propoxyphenyl)methanamine

(2-but-2-ynoxy-4-propoxyphenyl)methanamine (PubChem CID 55057837) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-but-2-ynoxy-4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-but-2-ynoxy-4-propoxyphenyl)methanamine
PubChem CID55057837
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2-but-2-ynoxy-4-propoxyphenyl)methanamine
SMILESCC#CCOc1cc(OCCC)ccc1CN
InChIInChI=1S/C14H19NO2/c1-3-5-9-17-14-10-13(16-8-4-2)7-6-12(14)11-15/h6-7,10H,4,8-9,11,15H2,1-2H3
InChIKeyFLULXHFDEASPTB-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
CID 106436827
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813

Frequently Asked Questions

What is the IUPAC name of (2-but-2-ynoxy-4-propoxyphenyl)methanamine?
The IUPAC name of (2-but-2-ynoxy-4-propoxyphenyl)methanamine (CID 55057837) is (2-but-2-ynoxy-4-propoxyphenyl)methanamine.
What is the SMILES notation for (2-but-2-ynoxy-4-propoxyphenyl)methanamine?
The canonical SMILES for (2-but-2-ynoxy-4-propoxyphenyl)methanamine is CC#CCOc1cc(OCCC)ccc1CN.
What is the InChIKey of (2-but-2-ynoxy-4-propoxyphenyl)methanamine?
The InChIKey is FLULXHFDEASPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-9-17-14-10-13(16-8-4-2)7-6-12(14)11-15/h6-7,10H,4,8-9,11,15H2,1-2H3.
What are the key properties of (2-but-2-ynoxy-4-propoxyphenyl)methanamine?
(2-but-2-ynoxy-4-propoxyphenyl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-2-ynoxy-4-propoxyphenyl)methanamine is sourced from PubChem (CID 55057837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).