1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine

C18H23NO2 — CID 54803561

IUPAC1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCOCCOc1cccc(CNCc2ccccc2C)c1
InChIInChI=1S/C18H23NO2/c1-15-6-3-4-8-17(15)14-19-13-16-7-5-9-18(12-16)21-11-10-20-2/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyKKFCCAPDMPILGU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.31
Rot. Bonds8

About 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine

1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 54803561) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
PubChem CID54803561
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCOCCOc1cccc(CNCc2ccccc2C)c1
InChIInChI=1S/C18H23NO2/c1-15-6-3-4-8-17(15)14-19-13-16-7-5-9-18(12-16)21-11-10-20-2/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyKKFCCAPDMPILGU-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
CID 54855853
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
CID 47628361
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine (CID 54803561) is 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine is COCCOc1cccc(CNCc2ccccc2C)c1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is KKFCCAPDMPILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-6-3-4-8-17(15)14-19-13-16-7-5-9-18(12-16)21-11-10-20-2/h3-9,12,19H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 54803561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).