N-methyl-3-phenylbutan-2-imine

C11H15N — CID 139398106

IUPACN-methyl-3-phenylbutan-2-imine
SMILESC/N=C(\C)C(C)c1ccccc1
InChIInChI=1S/C11H15N/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+
InChIKeyBWNRGZNVNJABCD-ZRDIBKRKSA-N
MW161.25 g/mol
LogP2.88
Rot. Bonds2

About N-methyl-3-phenylbutan-2-imine

N-methyl-3-phenylbutan-2-imine (PubChem CID 139398106) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyl-3-phenylbutan-2-imine.

Molecular Properties

Compound NameN-methyl-3-phenylbutan-2-imine
PubChem CID139398106
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyl-3-phenylbutan-2-imine
SMILESC/N=C(\C)C(C)c1ccccc1
InChIInChI=1S/C11H15N/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+
InChIKeyBWNRGZNVNJABCD-ZRDIBKRKSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.88
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-3-phenylbutan-2-imine?
The IUPAC name of N-methyl-3-phenylbutan-2-imine (CID 139398106) is N-methyl-3-phenylbutan-2-imine.
What is the SMILES notation for N-methyl-3-phenylbutan-2-imine?
The canonical SMILES for N-methyl-3-phenylbutan-2-imine is C/N=C(\C)C(C)c1ccccc1.
What is the InChIKey of N-methyl-3-phenylbutan-2-imine?
The InChIKey is BWNRGZNVNJABCD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+.
What are the key properties of N-methyl-3-phenylbutan-2-imine?
N-methyl-3-phenylbutan-2-imine has a molecular weight of 161.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylbutan-2-imine is sourced from PubChem (CID 139398106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).