2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine

C17H21NO2 — CID 66742845

IUPAC2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
SMILESCOC(Cc1ccccc1)c1cccc(OCCN)c1
InChIInChI=1S/C17H21NO2/c1-19-17(12-14-6-3-2-4-7-14)15-8-5-9-16(13-15)20-11-10-18/h2-9,13,17H,10-12,18H2,1H3
InChIKeyHKTOGRKEUPZCEG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds7

About 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine

2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine (PubChem CID 66742845) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
PubChem CID66742845
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
SMILESCOC(Cc1ccccc1)c1cccc(OCCN)c1
InChIInChI=1S/C17H21NO2/c1-19-17(12-14-6-3-2-4-7-14)15-8-5-9-16(13-15)20-11-10-18/h2-9,13,17H,10-12,18H2,1H3
InChIKeyHKTOGRKEUPZCEG-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide
CID 87132536
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CID 66072172
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
1-(1-bromo-2-phenylethyl)-3-propoxybenzene
CID 63529881
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine
CID 117299336
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
CID 69173726
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
CID 170001010

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine (CID 66742845) is 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine is COC(Cc1ccccc1)c1cccc(OCCN)c1.
What is the InChIKey of 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine?
The InChIKey is HKTOGRKEUPZCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-17(12-14-6-3-2-4-7-14)15-8-5-9-16(13-15)20-11-10-18/h2-9,13,17H,10-12,18H2,1H3.
What are the key properties of 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine?
2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine is sourced from PubChem (CID 66742845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).