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

C15H19NO2 — CID 54977307

IUPAC3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(COCC2CCOC2)cc1
InChIInChI=1S/C15H19NO2/c16-8-1-2-13-3-5-14(6-4-13)10-18-12-15-7-9-17-11-15/h3-6,15H,7-12,16H2
InChIKeyXPYQLHGPJCYJGZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.55
Rot. Bonds4

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

3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine (PubChem CID 54977307) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
PubChem CID54977307
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(COCC2CCOC2)cc1
InChIInChI=1S/C15H19NO2/c16-8-1-2-13-3-5-14(6-4-13)10-18-12-15-7-9-17-11-15/h3-6,15H,7-12,16H2
InChIKeyXPYQLHGPJCYJGZ-UHFFFAOYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.55
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

3-[4-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 55212355
3-[3-(oxan-4-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 62382842
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol
CID 54977358
N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
CID 62484188
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]oxolane
CID 54977496
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 107558808
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841
2-methoxy-5-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 65343766
3-[4-(furan-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969860
3-[5-methoxy-2-(oxolan-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706960

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine (CID 54977307) is 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine is NCC#Cc1ccc(COCC2CCOC2)cc1.
What is the InChIKey of 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
The InChIKey is XPYQLHGPJCYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-8-1-2-13-3-5-14(6-4-13)10-18-12-15-7-9-17-11-15/h3-6,15H,7-12,16H2.
What are the key properties of 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54977307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).