1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine

C17H21NO2 — CID 63803634

IUPAC1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
SMILESCOc1ccccc1Oc1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C17H21NO2/c1-12-10-15(9-8-14(12)11-13(2)18)20-17-7-5-4-6-16(17)19-3/h4-10,13H,11,18H2,1-3H3
InChIKeyPWOBSQQQWWJLMB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.69
Rot. Bonds5

About 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine

1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine (PubChem CID 63803634) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
PubChem CID63803634
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
SMILESCOc1ccccc1Oc1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C17H21NO2/c1-12-10-15(9-8-14(12)11-13(2)18)20-17-7-5-4-6-16(17)19-3/h4-10,13H,11,18H2,1-3H3
InChIKeyPWOBSQQQWWJLMB-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
CID 64855867
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine (CID 63803634) is 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine is COc1ccccc1Oc1ccc(CC(C)N)c(C)c1.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine?
The InChIKey is PWOBSQQQWWJLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-10-15(9-8-14(12)11-13(2)18)20-17-7-5-4-6-16(17)19-3/h4-10,13H,11,18H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine?
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 63803634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).