1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine

C17H21NO3 — CID 16785142

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H21NO3/c1-12-8-9-15(19-2)13(10-12)14(18)11-21-17-7-5-4-6-16(17)20-3/h4-10,14H,11,18H2,1-3H3
InChIKeyAPFBNSMPLBNSAK-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine

1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine (PubChem CID 16785142) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
PubChem CID16785142
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H21NO3/c1-12-8-9-15(19-2)13(10-12)14(18)11-21-17-7-5-4-6-16(17)20-3/h4-10,14H,11,18H2,1-3H3
InChIKeyAPFBNSMPLBNSAK-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43101312
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
1-(2-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 61220878
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43183961
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
2-methoxy-1-(2-methoxy-5-methylphenyl)-2-phenylethanamine
CID 116772779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine (CID 16785142) is 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine is COc1ccccc1OCC(N)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is APFBNSMPLBNSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-8-9-15(19-2)13(10-12)14(18)11-21-17-7-5-4-6-16(17)20-3/h4-10,14H,11,18H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine?
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 16785142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).