N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine

C17H21NO2 — CID 43285624

IUPACN-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1Oc1ccc(OC)cc1
InChIInChI=1S/C17H21NO2/c1-4-18-13(2)16-7-5-6-8-17(16)20-15-11-9-14(19-3)10-12-15/h5-13,18H,4H2,1-3H3
InChIKeyAYBVOPQWASEHFZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.16
Rot. Bonds6

About N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine

N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine (PubChem CID 43285624) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
PubChem CID43285624
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1Oc1ccc(OC)cc1
InChIInChI=1S/C17H21NO2/c1-4-18-13(2)16-7-5-6-8-17(16)20-15-11-9-14(19-3)10-12-15/h5-13,18H,4H2,1-3H3
InChIKeyAYBVOPQWASEHFZ-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

1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285276
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
1-[2-(2,4-dimethoxyphenyl)phenyl]-N-ethylethanamine
CID 61033910
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-ethyl-1-[4-(2-iodophenoxy)phenyl]ethanamine
CID 43479753
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine (CID 43285624) is N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine is CCNC(C)c1ccccc1Oc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is AYBVOPQWASEHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-18-13(2)16-7-5-6-8-17(16)20-15-11-9-14(19-3)10-12-15/h5-13,18H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine?
N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine 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 N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43285624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).