1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine

C18H23NO2 — CID 28664197

IUPAC1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-21-17-9-8-16(11-18(17)20-3)13-19-12-15-7-5-6-14(2)10-15/h5-11,19H,4,12-13H2,1-3H3
InChIKeyNCHGNZLAOQDPCK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine

1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 28664197) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID28664197
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-21-17-9-8-16(11-18(17)20-3)13-19-12-15-7-5-6-14(2)10-15/h5-11,19H,4,12-13H2,1-3H3
InChIKeyNCHGNZLAOQDPCK-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

1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
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-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine (CID 28664197) is 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine is CCOc1ccc(CNCc2cccc(C)c2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is NCHGNZLAOQDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-21-17-9-8-16(11-18(17)20-3)13-19-12-15-7-5-6-14(2)10-15/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine 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 1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 28664197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).