1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine

C14H23NO3 — CID 82354145

IUPAC1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
SMILESCCOc1cccc(OCCOCC(C)(C)N)c1
InChIInChI=1S/C14H23NO3/c1-4-17-12-6-5-7-13(10-12)18-9-8-16-11-14(2,3)15/h5-7,10H,4,8-9,11,15H2,1-3H3
InChIKeyAPEBSCGVISMNHT-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds8

About 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine

1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine (PubChem CID 82354145) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
PubChem CID82354145
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
SMILESCCOc1cccc(OCCOCC(C)(C)N)c1
InChIInChI=1S/C14H23NO3/c1-4-17-12-6-5-7-13(10-12)18-9-8-16-11-14(2,3)15/h5-7,10H,4,8-9,11,15H2,1-3H3
InChIKeyAPEBSCGVISMNHT-UHFFFAOYSA-N
XLogP2.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine
CID 82353774
1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
CID 177106556
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
1-[2-(4-bromophenoxy)ethoxy]-2-methylpropan-2-amine
CID 64537776
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62336178
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine (CID 82354145) is 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine is CCOc1cccc(OCCOCC(C)(C)N)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine?
The InChIKey is APEBSCGVISMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-17-12-6-5-7-13(10-12)18-9-8-16-11-14(2,3)15/h5-7,10H,4,8-9,11,15H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine?
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 82354145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).