N-methylmethanamine;2-phenylacetaldehyde

C10H15NO — CID 175168726

IUPACN-methylmethanamine;2-phenylacetaldehyde
SMILESCNC.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C2H7N/c9-7-6-8-4-2-1-3-5-8;1-3-2/h1-5,7H,6H2;3H,1-2H3
InChIKeyQFYWQPFBXIAXSG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.26
Rot. Bonds2

About N-methylmethanamine;2-phenylacetaldehyde

N-methylmethanamine;2-phenylacetaldehyde (PubChem CID 175168726) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methylmethanamine;2-phenylacetaldehyde.

Molecular Properties

Compound NameN-methylmethanamine;2-phenylacetaldehyde
PubChem CID175168726
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methylmethanamine;2-phenylacetaldehyde
SMILESCNC.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C2H7N/c9-7-6-8-4-2-1-3-5-8;1-3-2/h1-5,7H,6H2;3H,1-2H3
InChIKeyQFYWQPFBXIAXSG-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methylmethanamine;2-phenylacetaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-phenylacetaldehyde?
The IUPAC name of N-methylmethanamine;2-phenylacetaldehyde (CID 175168726) is N-methylmethanamine;2-phenylacetaldehyde.
What is the SMILES notation for N-methylmethanamine;2-phenylacetaldehyde?
The canonical SMILES for N-methylmethanamine;2-phenylacetaldehyde is CNC.O=CCc1ccccc1.
What is the InChIKey of N-methylmethanamine;2-phenylacetaldehyde?
The InChIKey is QFYWQPFBXIAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H7N/c9-7-6-8-4-2-1-3-5-8;1-3-2/h1-5,7H,6H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;2-phenylacetaldehyde?
N-methylmethanamine;2-phenylacetaldehyde has a molecular weight of 165.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;2-phenylacetaldehyde is sourced from PubChem (CID 175168726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).