1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine

C18H23NO2 — CID 116772649

IUPAC1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
SMILESCCOc1cccc(C(NC)C(OC)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-4-21-16-12-8-11-15(13-16)17(19-2)18(20-3)14-9-6-5-7-10-14/h5-13,17-19H,4H2,1-3H3
InChIKeyVBGYKCGZTMDFKT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine

1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine (PubChem CID 116772649) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
PubChem CID116772649
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
SMILESCCOc1cccc(C(NC)C(OC)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-4-21-16-12-8-11-15(13-16)17(19-2)18(20-3)14-9-6-5-7-10-14/h5-13,17-19H,4H2,1-3H3
InChIKeyVBGYKCGZTMDFKT-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724512
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772654
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine (CID 116772649) is 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine is CCOc1cccc(C(NC)C(OC)c2ccccc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The InChIKey is VBGYKCGZTMDFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-21-16-12-8-11-15(13-16)17(19-2)18(20-3)14-9-6-5-7-10-14/h5-13,17-19H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine is sourced from PubChem (CID 116772649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).