N-(2-Phenoxyethyl)propan-2-amine

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Basic information

CAS: 55247-30-8
Standard SMILES: CC(C)NCCOc1ccccc1
InChIKey: WVFGRNGNOVCUFS-UHFFFAOYSA-N
Molecular formula: C11H17NO
Average molar mass: 179.26 g/mol
Monoisotopic mass: 179.13101417

Names & identifiers

Preferred name: N-(2-Phenoxyethyl)propan-2-amine
IUPAC: N-(2-phenoxyethyl)propan-2-amine
English name: CHEMBRDG-BB 4024827
Molecular formula: C11H17NO
Molecular weight: 179.26

Names & synonyms

N-(2-Phenoxyethyl)propan-2-amine55247-30-8N-(2-PHENOXYETHYL)-2-PROPANAMINE8051ABSCHEMBL7444284SCHEMBL7455578SCHEMBL7897828DTXSID70604135AKOS005295396CHEMBRDG-BB 4024827UKRORGSYN-BB BBV-2066312-Propanamine, N-(2-phenoxyethyl)-

Show more names

N-(2-phenoxyethyl)propan-2-amine(SALTDATA: HCl)

Database identifiers

CAS: 55247-30-8
PubChem CID: 20251981
DTXSID: DTXSID70604135

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 119

Physicochemical properties

Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_code: Xi
hazard_class: IRRITANT

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Phenoxyethylbromide Isopropylamine

Related reactions

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Compound notes

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