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

C18H23NO2 — CID 60744247

IUPACN-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
SMILESCCOc1ccccc1CNCc1ccccc1COC
InChIInChI=1S/C18H23NO2/c1-3-21-18-11-7-6-9-16(18)13-19-12-15-8-4-5-10-17(15)14-20-2/h4-11,19H,3,12-14H2,1-2H3
InChIKeyKUNCZOWRAZNYMS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.52
Rot. Bonds8

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

N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine (PubChem CID 60744247) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
PubChem CID60744247
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
SMILESCCOc1ccccc1CNCc1ccccc1COC
InChIInChI=1S/C18H23NO2/c1-3-21-18-11-7-6-9-16(18)13-19-12-15-8-4-5-10-17(15)14-20-2/h4-11,19H,3,12-14H2,1-2H3
InChIKeyKUNCZOWRAZNYMS-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111881421
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-[(2-ethoxyphenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111881114

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine (CID 60744247) is N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine is CCOc1ccccc1CNCc1ccccc1COC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
The InChIKey is KUNCZOWRAZNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-18-11-7-6-9-16(18)13-19-12-15-8-4-5-10-17(15)14-20-2/h4-11,19H,3,12-14H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 60744247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).