2-(3-methoxyphenoxy)-2-phenylethanamine

C15H17NO2 — CID 55017396

IUPAC2-(3-methoxyphenoxy)-2-phenylethanamine
SMILESCOc1cccc(OC(CN)c2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-10,15H,11,16H2,1H3
InChIKeyTWDKJNVZHLSTOJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds5

About 2-(3-methoxyphenoxy)-2-phenylethanamine

2-(3-methoxyphenoxy)-2-phenylethanamine (PubChem CID 55017396) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-2-phenylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-2-phenylethanamine
PubChem CID55017396
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(3-methoxyphenoxy)-2-phenylethanamine
SMILESCOc1cccc(OC(CN)c2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-10,15H,11,16H2,1H3
InChIKeyTWDKJNVZHLSTOJ-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63648144
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-2-phenylethanamine?
The IUPAC name of 2-(3-methoxyphenoxy)-2-phenylethanamine (CID 55017396) is 2-(3-methoxyphenoxy)-2-phenylethanamine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-2-phenylethanamine?
The canonical SMILES for 2-(3-methoxyphenoxy)-2-phenylethanamine is COc1cccc(OC(CN)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-2-phenylethanamine?
The InChIKey is TWDKJNVZHLSTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-10,15H,11,16H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-2-phenylethanamine?
2-(3-methoxyphenoxy)-2-phenylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-2-phenylethanamine is sourced from PubChem (CID 55017396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).