N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine

C18H23NO2 — CID 62451213

IUPACN-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
SMILESCCNCC(Oc1ccc(C)cc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-19-13-18(15-8-6-5-7-9-15)21-16-11-10-14(2)12-17(16)20-3/h5-12,18-19H,4,13H2,1-3H3
InChIKeyVELQQICSUQPAMD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine

N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine (PubChem CID 62451213) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
PubChem CID62451213
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
SMILESCCNCC(Oc1ccc(C)cc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-19-13-18(15-8-6-5-7-9-15)21-16-11-10-14(2)12-17(16)20-3/h5-12,18-19H,4,13H2,1-3H3
InChIKeyVELQQICSUQPAMD-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096
2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
CID 62458549
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63495954
ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate
CID 10833081
2-(2-methoxy-4-methylphenoxy)-N-propylpentan-1-amine
CID 83046472
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
CID 121438246
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
The IUPAC name of N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine (CID 62451213) is N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine is CCNCC(Oc1ccc(C)cc1OC)c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
The InChIKey is VELQQICSUQPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19-13-18(15-8-6-5-7-9-15)21-16-11-10-14(2)12-17(16)20-3/h5-12,18-19H,4,13H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine?
N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine is sourced from PubChem (CID 62451213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).