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

C14H19NO2 — CID 54970255

IUPAC3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
SMILESCOCCCOCc1ccccc1C#CCN
InChIInChI=1S/C14H19NO2/c1-16-10-5-11-17-12-14-7-3-2-6-13(14)8-4-9-15/h2-3,6-7H,5,9-12,15H2,1H3
InChIKeyUYPTXIKXCOTYGA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.55
Rot. Bonds6

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

3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine (PubChem CID 54970255) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
PubChem CID54970255
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
SMILESCOCCCOCc1ccccc1C#CCN
InChIInChI=1S/C14H19NO2/c1-16-10-5-11-17-12-14-7-3-2-6-13(14)8-4-9-15/h2-3,6-7H,5,9-12,15H2,1H3
InChIKeyUYPTXIKXCOTYGA-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-[2-(2-cyclopropylethoxymethyl)phenyl]prop-2-yn-1-amine
CID 114157743
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 106448592
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 103181830
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009322
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 62590239
3-[3-fluoro-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-amine
CID 103404213
3-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62465864
1-(3-iodoprop-1-ynyl)-2-(2-methoxyethyl)benzene
CID 121014119
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448614
3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol
CID 54974909

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine (CID 54970255) is 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine is COCCCOCc1ccccc1C#CCN.
What is the InChIKey of 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine?
The InChIKey is UYPTXIKXCOTYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-10-5-11-17-12-14-7-3-2-6-13(14)8-4-9-15/h2-3,6-7H,5,9-12,15H2,1H3.
What are the key properties of 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine?
3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine has a molecular weight of 233.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).