N-(methoxymethoxy)-1-phenylmethanamine

C9H13NO2 — CID 54396406

IUPACN-(methoxymethoxy)-1-phenylmethanamine
SMILESCOCONCc1ccccc1
InChIInChI=1S/C9H13NO2/c1-11-8-12-10-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyVKGYGTGCWNAWSI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.31
Rot. Bonds5

About N-(methoxymethoxy)-1-phenylmethanamine

N-(methoxymethoxy)-1-phenylmethanamine (PubChem CID 54396406) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(methoxymethoxy)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(methoxymethoxy)-1-phenylmethanamine
PubChem CID54396406
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(methoxymethoxy)-1-phenylmethanamine
SMILESCOCONCc1ccccc1
InChIInChI=1S/C9H13NO2/c1-11-8-12-10-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyVKGYGTGCWNAWSI-UHFFFAOYSA-N
XLogP1.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(methoxymethoxy)-1-phenylmethanamine 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

2-(benzylamino)oxyethanamine
CID 46183846
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-[(E)-but-2-enoxy]-1-phenylmethanamine
CID 100914451
N-ethoxy-1-phenylmethanamine;methyl hydrogen sulfate
CID 175484798
1-phenyl-N-(3-phenylpropoxy)methanamine
CID 154375568
2-(benzylamino)oxyethanamine;dihydrochloride
CID 46183845
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
N-[methoxy(methyl)phosphoryl]oxy-1-phenylmethanamine
CID 91066973
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethoxy)-1-phenylmethanamine?
The IUPAC name of N-(methoxymethoxy)-1-phenylmethanamine (CID 54396406) is N-(methoxymethoxy)-1-phenylmethanamine.
What is the SMILES notation for N-(methoxymethoxy)-1-phenylmethanamine?
The canonical SMILES for N-(methoxymethoxy)-1-phenylmethanamine is COCONCc1ccccc1.
What is the InChIKey of N-(methoxymethoxy)-1-phenylmethanamine?
The InChIKey is VKGYGTGCWNAWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-8-12-10-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of N-(methoxymethoxy)-1-phenylmethanamine?
N-(methoxymethoxy)-1-phenylmethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethoxy)-1-phenylmethanamine is sourced from PubChem (CID 54396406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).