N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine

C13H19NO — CID 10845916

IUPACN-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine
SMILESCCC/C=N/[C@@H](COC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-4-10-14-13(11-15-2)12-8-6-5-7-9-12/h5-10,13H,3-4,11H2,1-2H3/b14-10+/t13-/m0/s1
InChIKeyWJDYICYITWCEKS-LFGHMXSPSA-N
MW205.30 g/mol
LogP3.24
Rot. Bonds6

About N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine

N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine (PubChem CID 10845916) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine
PubChem CID10845916
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine
SMILESCCC/C=N/[C@@H](COC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-4-10-14-13(11-15-2)12-8-6-5-7-9-12/h5-10,13H,3-4,11H2,1-2H3/b14-10+/t13-/m0/s1
InChIKeyWJDYICYITWCEKS-LFGHMXSPSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine (CID 10845916) is N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine is CCC/C=N/[C@@H](COC)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine?
The InChIKey is WJDYICYITWCEKS-LFGHMXSPSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-10-14-13(11-15-2)12-8-6-5-7-9-12/h5-10,13H,3-4,11H2,1-2H3/b14-10+/t13-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine?
N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine has a molecular weight of 205.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]butan-1-imine is sourced from PubChem (CID 10845916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).