1-(3,5-dimethylphenyl)-N-methoxymethanamine

C10H15NO — CID 60702400

IUPAC1-(3,5-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(C)cc(C)c1
InChIInChI=1S/C10H15NO/c1-8-4-9(2)6-10(5-8)7-11-12-3/h4-6,11H,7H2,1-3H3
InChIKeyTWEGVXMNRSDSDU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.95
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N-methoxymethanamine

1-(3,5-dimethylphenyl)-N-methoxymethanamine (PubChem CID 60702400) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methoxymethanamine
PubChem CID60702400
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3,5-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(C)cc(C)c1
InChIInChI=1S/C10H15NO/c1-8-4-9(2)6-10(5-8)7-11-12-3/h4-6,11H,7H2,1-3H3
InChIKeyTWEGVXMNRSDSDU-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
5-[(methoxyamino)methyl]-2,3-dimethylphenol
CID 117278874
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
5-[(methoxyamino)methyl]-N,N,2,3-tetramethylaniline
CID 117107457
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
methyl 2-[(3,5-dimethylphenyl)methylamino]acetate
CID 60687760
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine
CID 82657153
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
CID 117404014
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methoxymethanamine (CID 60702400) is 1-(3,5-dimethylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methoxymethanamine is CONCc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methoxymethanamine?
The InChIKey is TWEGVXMNRSDSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-9(2)6-10(5-8)7-11-12-3/h4-6,11H,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methoxymethanamine?
1-(3,5-dimethylphenyl)-N-methoxymethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 60702400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).