1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine

C17H21NO3 — CID 115995509

IUPAC1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1c(OC)cccc1OC
InChIInChI=1S/C17H21NO3/c1-4-13(18)12-8-5-6-9-14(12)21-17-15(19-2)10-7-11-16(17)20-3/h5-11,13H,4,18H2,1-3H3
InChIKeyIYSIYRZLMRPFPR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine

1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine (PubChem CID 115995509) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
PubChem CID115995509
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1c(OC)cccc1OC
InChIInChI=1S/C17H21NO3/c1-4-13(18)12-8-5-6-9-14(12)21-17-15(19-2)10-7-11-16(17)20-3/h5-11,13H,4,18H2,1-3H3
InChIKeyIYSIYRZLMRPFPR-UHFFFAOYSA-N
XLogP3.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
CID 82919557
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine (CID 115995509) is 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine is CCC(N)c1ccccc1Oc1c(OC)cccc1OC.
What is the InChIKey of 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine?
The InChIKey is IYSIYRZLMRPFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-13(18)12-8-5-6-9-14(12)21-17-15(19-2)10-7-11-16(17)20-3/h5-11,13H,4,18H2,1-3H3.
What are the key properties of 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine?
1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 115995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).