1-methoxy-N,N-dimethyl-1-phenylmethanamine

C10H15NO — CID 116914419

IUPAC1-methoxy-N,N-dimethyl-1-phenylmethanamine
SMILESCOC(c1ccccc1)N(C)C
InChIInChI=1S/C10H15NO/c1-11(2)10(12-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyCVPXTONMCNSYGG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.89
Rot. Bonds3

About 1-methoxy-N,N-dimethyl-1-phenylmethanamine

1-methoxy-N,N-dimethyl-1-phenylmethanamine (PubChem CID 116914419) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethyl-1-phenylmethanamine
PubChem CID116914419
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-methoxy-N,N-dimethyl-1-phenylmethanamine
SMILESCOC(c1ccccc1)N(C)C
InChIInChI=1S/C10H15NO/c1-11(2)10(12-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyCVPXTONMCNSYGG-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-methoxy-N,N-dimethyl-1-phenylmethanamine (CID 116914419) is 1-methoxy-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-methoxy-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-methoxy-N,N-dimethyl-1-phenylmethanamine is COC(c1ccccc1)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is CVPXTONMCNSYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11(2)10(12-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3.
What are the key properties of 1-methoxy-N,N-dimethyl-1-phenylmethanamine?
1-methoxy-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 116914419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).