N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine

C18H23NO2 — CID 62449938

IUPACN-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccc(C)cc2OC)c1
InChIInChI=1S/C18H23NO2/c1-4-19-12-15-6-5-7-16(11-15)13-21-17-9-8-14(2)10-18(17)20-3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyVAQAJCLPSYYTBG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds7

About N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine

N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62449938) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62449938
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccc(C)cc2OC)c1
InChIInChI=1S/C18H23NO2/c1-4-19-12-15-6-5-7-16(11-15)13-21-17-9-8-14(2)10-18(17)20-3/h5-11,19H,4,12-13H2,1-3H3
InChIKeyVAQAJCLPSYYTBG-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-[[3-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62460175
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine (CID 62449938) is N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1cccc(COc2ccc(C)cc2OC)c1.
What is the InChIKey of N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is VAQAJCLPSYYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19-12-15-6-5-7-16(11-15)13-21-17-9-8-14(2)10-18(17)20-3/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62449938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).