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

C12H19NO3 — CID 82710687

IUPACN-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
SMILESCOCCONCc1ccc(COC)cc1
InChIInChI=1S/C12H19NO3/c1-14-7-8-16-13-9-11-3-5-12(6-4-11)10-15-2/h3-6,13H,7-10H2,1-2H3
InChIKeyQADOTOKMFOAGEN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds8

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

N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine (PubChem CID 82710687) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
PubChem CID82710687
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
SMILESCOCCONCc1ccc(COC)cc1
InChIInChI=1S/C12H19NO3/c1-14-7-8-16-13-9-11-3-5-12(6-4-11)10-15-2/h3-6,13H,7-10H2,1-2H3
InChIKeyQADOTOKMFOAGEN-UHFFFAOYSA-N
XLogP1.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]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-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
CID 82714297
N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
CID 82714540
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
CID 82714412
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine
CID 82715534
N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
CID 115654216
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine
CID 82714769
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine (CID 82710687) is N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine is COCCONCc1ccc(COC)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine?
The InChIKey is QADOTOKMFOAGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-7-8-16-13-9-11-3-5-12(6-4-11)10-15-2/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine?
N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 82710687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).