1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine

C17H21NO3 — CID 61032618

IUPAC1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
SMILESCOc1cc(OC)c(-c2cccc(C(C)N)c2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-11(18)12-6-5-7-13(8-12)17-15(20-3)9-14(19-2)10-16(17)21-4/h5-11H,18H2,1-4H3
InChIKeyWFJHWFNKKYBOKR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.40
Rot. Bonds5

About 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine

1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine (PubChem CID 61032618) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
PubChem CID61032618
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
SMILESCOc1cc(OC)c(-c2cccc(C(C)N)c2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-11(18)12-6-5-7-13(8-12)17-15(20-3)9-14(19-2)10-16(17)21-4/h5-11H,18H2,1-4H3
InChIKeyWFJHWFNKKYBOKR-UHFFFAOYSA-N
XLogP3.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 54910225
(3S)-3-amino-3-[3-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 135366920
1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
CID 113319516
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106681172
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine (CID 61032618) is 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine is COc1cc(OC)c(-c2cccc(C(C)N)c2)c(OC)c1.
What is the InChIKey of 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine?
The InChIKey is WFJHWFNKKYBOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(18)12-6-5-7-13(8-12)17-15(20-3)9-14(19-2)10-16(17)21-4/h5-11H,18H2,1-4H3.
What are the key properties of 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine?
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 61032618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).