1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine

C17H21NO2 — CID 62337869

IUPAC1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
SMILESCCOc1cccc(Oc2ccccc2C(C)NC)c1
InChIInChI=1S/C17H21NO2/c1-4-19-14-8-7-9-15(12-14)20-17-11-6-5-10-16(17)13(2)18-3/h5-13,18H,4H2,1-3H3
InChIKeySYCZHFKGPDLSKX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine

1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine (PubChem CID 62337869) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
PubChem CID62337869
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
SMILESCCOc1cccc(Oc2ccccc2C(C)NC)c1
InChIInChI=1S/C17H21NO2/c1-4-19-14-8-7-9-15(12-14)20-17-11-6-5-10-16(17)13(2)18-3/h5-13,18H,4H2,1-3H3
InChIKeySYCZHFKGPDLSKX-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
CID 43286020
1-[2-(3-methoxyphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995535
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
2-(3-ethoxyphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62335577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine (CID 62337869) is 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine is CCOc1cccc(Oc2ccccc2C(C)NC)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine?
The InChIKey is SYCZHFKGPDLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-19-14-8-7-9-15(12-14)20-17-11-6-5-10-16(17)13(2)18-3/h5-13,18H,4H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine?
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine has a molecular weight of 271.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 62337869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).