(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine

C14H21NO — CID 10900120

IUPAC(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine
SMILESCCC[C@@H](O/N=C/C(C)C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-8-14(16-15-11-12(2)3)13-9-6-5-7-10-13/h5-7,9-12,14H,4,8H2,1-3H3/b15-11+/t14-/m1/s1
InChIKeyNRABMBILNRWDKX-XDPMZMSMSA-N
MW219.33 g/mol
LogP4.19
Rot. Bonds6

About (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine

(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine (PubChem CID 10900120) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine
PubChem CID10900120
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine
SMILESCCC[C@@H](O/N=C/C(C)C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-8-14(16-15-11-12(2)3)13-9-6-5-7-10-13/h5-7,9-12,14H,4,8H2,1-3H3/b15-11+/t14-/m1/s1
InChIKeyNRABMBILNRWDKX-XDPMZMSMSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, O-(phenylmethyl)oxime
CID 18803
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
N-phenylmethoxymethanimine
CID 561610
O-benzylbenzaldoxime
CID 561973
4-Benzyl-4,5-dihydroisoxazole
CID 562962
5-Phenylisoxazoline
CID 568817
3-Isopropyl-5-phenylisoxazoline
CID 5326289
Pentanal O-benzyloxime
CID 9602269

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine?
The IUPAC name of (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine (CID 10900120) is (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine.
What is the SMILES notation for (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine?
The canonical SMILES for (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine is CCC[C@@H](O/N=C/C(C)C)c1ccccc1.
What is the InChIKey of (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine?
The InChIKey is NRABMBILNRWDKX-XDPMZMSMSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-8-14(16-15-11-12(2)3)13-9-6-5-7-10-13/h5-7,9-12,14H,4,8H2,1-3H3/b15-11+/t14-/m1/s1.
What are the key properties of (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine?
(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine has a molecular weight of 219.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine is sourced from PubChem (CID 10900120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).