N-methoxy-3-phenylpropan-1-imine

C10H13NO — CID 73200493

IUPACN-methoxy-3-phenylpropan-1-imine
SMILESCON=CCCc1ccccc1
InChIInChI=1S/C10H13NO/c1-12-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,5,8H2,1H3
InChIKeyBGODCHQCEPMQOX-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.25
Rot. Bonds4

About N-methoxy-3-phenylpropan-1-imine

N-methoxy-3-phenylpropan-1-imine (PubChem CID 73200493) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methoxy-3-phenylpropan-1-imine.

Molecular Properties

Compound NameN-methoxy-3-phenylpropan-1-imine
PubChem CID73200493
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-methoxy-3-phenylpropan-1-imine
SMILESCON=CCCc1ccccc1
InChIInChI=1S/C10H13NO/c1-12-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,5,8H2,1H3
InChIKeyBGODCHQCEPMQOX-UHFFFAOYSA-N
XLogP2.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.25
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

(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
3-(4-fluorophenyl)-N-trityloxypropan-1-imine
CID 163288846
pent-3-enylbenzene
CID 519421
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
2-(3-phenylpropylideneamino)guanidine
CID 5053229
(E)-N-(2-phenylethoxy)propan-1-imine
CID 88538979
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
N-methyl-2-(3-phenylpropylideneamino)aniline
CID 91498875
[(E)-5,5-dimethoxyhex-3-enyl]benzene
CID 10656559
2-methoxyethylbenzene
CID 19089
N-ethoxy-3-(3-methylphenyl)propan-1-imine
CID 54106266
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-phenylpropan-1-imine?
The IUPAC name of N-methoxy-3-phenylpropan-1-imine (CID 73200493) is N-methoxy-3-phenylpropan-1-imine.
What is the SMILES notation for N-methoxy-3-phenylpropan-1-imine?
The canonical SMILES for N-methoxy-3-phenylpropan-1-imine is CON=CCCc1ccccc1.
What is the InChIKey of N-methoxy-3-phenylpropan-1-imine?
The InChIKey is BGODCHQCEPMQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,5,8H2,1H3.
What are the key properties of N-methoxy-3-phenylpropan-1-imine?
N-methoxy-3-phenylpropan-1-imine has a molecular weight of 163.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-phenylpropan-1-imine is sourced from PubChem (CID 73200493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).