1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

C18H23NO — CID 60743821

IUPAC1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCCc1ccc(CNCc2ccccc2COC)cc1
InChIInChI=1S/C18H23NO/c1-3-15-8-10-16(11-9-15)12-19-13-17-6-4-5-7-18(17)14-20-2/h4-11,19H,3,12-14H2,1-2H3
InChIKeyYQBILJXNLSGSRZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (PubChem CID 60743821) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
PubChem CID60743821
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCCc1ccc(CNCc2ccccc2COC)cc1
InChIInChI=1S/C18H23NO/c1-3-15-8-10-16(11-9-15)12-19-13-17-6-4-5-7-18(17)14-20-2/h4-11,19H,3,12-14H2,1-2H3
InChIKeyYQBILJXNLSGSRZ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (CID 60743821) is 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is CCc1ccc(CNCc2ccccc2COC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The InChIKey is YQBILJXNLSGSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-15-8-10-16(11-9-15)12-19-13-17-6-4-5-7-18(17)14-20-2/h4-11,19H,3,12-14H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 60743821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).