N-methyl-1-phenylethanimine

C9H11N — CID 576474

IUPACN-methyl-1-phenylethanimine
SMILESC/N=C(\C)c1ccccc1
InChIInChI=1S/C9H11N/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
InChIKeyKDUZUMYJQDSBRY-CSKARUKUSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds1

About N-methyl-1-phenylethanimine

N-methyl-1-phenylethanimine (PubChem CID 576474) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-methyl-1-phenylethanimine.

Molecular Properties

Compound NameN-methyl-1-phenylethanimine
PubChem CID576474
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-methyl-1-phenylethanimine
SMILESC/N=C(\C)c1ccccc1
InChIInChI=1S/C9H11N/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
InChIKeyKDUZUMYJQDSBRY-CSKARUKUSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylethanimine?
The IUPAC name of N-methyl-1-phenylethanimine (CID 576474) is N-methyl-1-phenylethanimine.
What is the SMILES notation for N-methyl-1-phenylethanimine?
The canonical SMILES for N-methyl-1-phenylethanimine is C/N=C(\C)c1ccccc1.
What is the InChIKey of N-methyl-1-phenylethanimine?
The InChIKey is KDUZUMYJQDSBRY-CSKARUKUSA-N. The full InChI is InChI=1S/C9H11N/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+.
What are the key properties of N-methyl-1-phenylethanimine?
N-methyl-1-phenylethanimine has a molecular weight of 133.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylethanimine is sourced from PubChem (CID 576474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).