2-Propanamine, N-(1-methylethyl)-N-(2-(2-(2-methylpropoxy)phenoxy)ethyl)-

HCID 3042673

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Basic information

CAS: 60191-54-0
Standard SMILES: CC(C)COc1ccccc1OCCN(C(C)C)C(C)C
InChIKey: VJMXBYMZCAXDNB-UHFFFAOYSA-N
Molecular formula: C18H31NO2
Average molar mass: 293.4 g/mol
Monoisotopic mass: 293.23547923

Names & identifiers

Preferred name: 2-Propanamine, N-(1-methylethyl)-N-(2-(2-(2-methylpropoxy)phenoxy)ethyl)-
IUPAC: N-[2-[2-(2-methylpropoxy)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

Names & synonyms

RAP 407BRN 30582722-Propanamine, N-(1-methylethyl)-N-(2-(2-(2-methylpropoxy)phenoxy)ethyl)-1-Isobutoxy-2-(2'-diisopropylaminoethoxy)benzene60191-54-0DTXSID90208932N-(1-Methylethyl)-N-(2-(2-(2-methylpropoxy)phenoxy)ethyl)-2-propanamineRefChem:265523DTXCID40131423SCHEMBL11599606VJMXBYMZCAXDNB-UHFFFAOYSA-N1-Isobutoxy-2-(2'-diisopropylaminoethoxy)-benzene

Show more names

N-{2-[2-(2-Methylpropoxy)phenoxy]ethyl}-N-(propan-2-yl)propan-2-amine

Database identifiers

CAS: 60191-54-0
PubChem CID: 3042673
DTXSID: DTXSID90208932

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 258

Related reactions

2 records

New reaction record

HRID 616372As productuspto-grants-1978_02

HRID 1220597As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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