Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium

Name: Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₃ClNO₂+ — CID 158829603

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACchloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium

SMILESC=CC(=O)OC(c1ccccc1)[N+](C)(C)CC.CCl

InChIInChI=1S/C14H20NO2.CH3Cl/c1-5-13(16)17-14(15(3,4)6-2)12-10-8-7-9-11-12;1-2/h5,7-11,14H,1,6H2,2-4H3;1H3/q+1;

InChIKeyIWWMRDGPQDEAOE-UHFFFAOYSA-N

MW284.81 g/mol

LogP3.37

Rot. Bonds5

About Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium

Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium (PubChem CID 158829603) has the molecular formula C₁₅H₂₃ClNO₂+ and a molecular weight of 284.81 g/mol. Its IUPAC name is chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium.

Molecular Properties

Compound Name	Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
PubChem CID	158829603
Molecular Formula	C₁₅H₂₃ClNO₂+
Molecular Weight	284.81 g/mol
Exact Mass	284.14
IUPAC Name	chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
SMILES	C=CC(=O)OC(c1ccccc1)[N+](C)(C)CC.CCl
InChI	InChI=1S/C14H20NO2.CH3Cl/c1-5-13(16)17-14(15(3,4)6-2)12-10-8-7-9-11-12;1-2/h5,7-11,14H,1,6H2,2-4H3;1H3/q+1;
InChIKey	IWWMRDGPQDEAOE-UHFFFAOYSA-N
XLogP	3.37
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.81
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium?

The IUPAC name of Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium (CID 158829603) is chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium.

What is the SMILES notation for Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium?

The canonical SMILES for Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium is C=CC(=O)OC(c1ccccc1)[N+](C)(C)CC.CCl.

What is the InChIKey of Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium?

The InChIKey is IWWMRDGPQDEAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2.CH3Cl/c1-5-13(16)17-14(15(3,4)6-2)12-10-8-7-9-11-12;1-2/h5,7-11,14H,1,6H2,2-4H3;1H3/q+1;.

What are the key properties of Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium?

Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium has a molecular weight of 284.81 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium is sourced from PubChem (CID 158829603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158829603 — identifiers, structure, computed properties (public domain)

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