N-methyl-4-phenylbutan-2-imine

C11H15N — CID 544975

IUPACN-methyl-4-phenylbutan-2-imine
SMILESC/N=C(\C)CCc1ccccc1
InChIInChI=1S/C11H15N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10+
InChIKeyFPZMHKXEVNQELO-ZRDIBKRKSA-N
MW161.25 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-4-phenylbutan-2-imine

N-methyl-4-phenylbutan-2-imine (PubChem CID 544975) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyl-4-phenylbutan-2-imine.

Molecular Properties

Compound NameN-methyl-4-phenylbutan-2-imine
PubChem CID544975
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyl-4-phenylbutan-2-imine
SMILESC/N=C(\C)CCc1ccccc1
InChIInChI=1S/C11H15N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10+
InChIKeyFPZMHKXEVNQELO-ZRDIBKRKSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.71
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-4-phenylbutan-2-imine?
The IUPAC name of N-methyl-4-phenylbutan-2-imine (CID 544975) is N-methyl-4-phenylbutan-2-imine.
What is the SMILES notation for N-methyl-4-phenylbutan-2-imine?
The canonical SMILES for N-methyl-4-phenylbutan-2-imine is C/N=C(\C)CCc1ccccc1.
What is the InChIKey of N-methyl-4-phenylbutan-2-imine?
The InChIKey is FPZMHKXEVNQELO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10+.
What are the key properties of N-methyl-4-phenylbutan-2-imine?
N-methyl-4-phenylbutan-2-imine has a molecular weight of 161.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylbutan-2-imine is sourced from PubChem (CID 544975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).