N-[(2-ethylphenyl)methyl]methanimine

C10H13N — CID 126763351

IUPACN-[(2-ethylphenyl)methyl]methanimine
SMILESC=NCc1ccccc1CC
InChIInChI=1S/C10H13N/c1-3-9-6-4-5-7-10(9)8-11-2/h4-7H,2-3,8H2,1H3
InChIKeyYMIABEPUWCULRW-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.45
Rot. Bonds3

About N-[(2-ethylphenyl)methyl]methanimine

N-[(2-ethylphenyl)methyl]methanimine (PubChem CID 126763351) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]methanimine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]methanimine
PubChem CID126763351
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[(2-ethylphenyl)methyl]methanimine
SMILESC=NCc1ccccc1CC
InChIInChI=1S/C10H13N/c1-3-9-6-4-5-7-10(9)8-11-2/h4-7H,2-3,8H2,1H3
InChIKeyYMIABEPUWCULRW-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.45
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-[(2-ethylphenyl)methyl]methanimine?
The IUPAC name of N-[(2-ethylphenyl)methyl]methanimine (CID 126763351) is N-[(2-ethylphenyl)methyl]methanimine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]methanimine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]methanimine is C=NCc1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)methyl]methanimine?
The InChIKey is YMIABEPUWCULRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-9-6-4-5-7-10(9)8-11-2/h4-7H,2-3,8H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]methanimine?
N-[(2-ethylphenyl)methyl]methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]methanimine is sourced from PubChem (CID 126763351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).