1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine

C14H23NO3 — CID 79492567

IUPAC1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
SMILESCCNC(c1ccccc1OCC)C(OC)OC
InChIInChI=1S/C14H23NO3/c1-5-15-13(14(16-3)17-4)11-9-7-8-10-12(11)18-6-2/h7-10,13-15H,5-6H2,1-4H3
InChIKeyGULCNTZITHAARE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.35
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine

1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine (PubChem CID 79492567) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
PubChem CID79492567
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
SMILESCCNC(c1ccccc1OCC)C(OC)OC
InChIInChI=1S/C14H23NO3/c1-5-15-13(14(16-3)17-4)11-9-7-8-10-12(11)18-6-2/h7-10,13-15H,5-6H2,1-4H3
InChIKeyGULCNTZITHAARE-UHFFFAOYSA-N
XLogP2.35
TPSA39.72 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-(2-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761098
N-ethyl-2,2-dimethoxy-1-quinolin-5-ylethanamine
CID 81231933
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115853735
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64612320
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine (CID 79492567) is 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine is CCNC(c1ccccc1OCC)C(OC)OC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine?
The InChIKey is GULCNTZITHAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-15-13(14(16-3)17-4)11-9-7-8-10-12(11)18-6-2/h7-10,13-15H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine?
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 79492567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).