N-[3-(4-methylphenoxy)propyl]methanimine

C11H15NO — CID 20728474

IUPACN-[3-(4-methylphenoxy)propyl]methanimine
SMILESC=NCCCOc1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-10-4-6-11(7-5-10)13-9-3-8-12-2/h4-7H,2-3,8-9H2,1H3
InChIKeyLRSRFKCMXBVGRL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.46
Rot. Bonds5

About N-[3-(4-methylphenoxy)propyl]methanimine

N-[3-(4-methylphenoxy)propyl]methanimine (PubChem CID 20728474) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)propyl]methanimine.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)propyl]methanimine
PubChem CID20728474
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[3-(4-methylphenoxy)propyl]methanimine
SMILESC=NCCCOc1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-10-4-6-11(7-5-10)13-9-3-8-12-2/h4-7H,2-3,8-9H2,1H3
InChIKeyLRSRFKCMXBVGRL-UHFFFAOYSA-N
XLogP2.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)propyl]methanimine?
The IUPAC name of N-[3-(4-methylphenoxy)propyl]methanimine (CID 20728474) is N-[3-(4-methylphenoxy)propyl]methanimine.
What is the SMILES notation for N-[3-(4-methylphenoxy)propyl]methanimine?
The canonical SMILES for N-[3-(4-methylphenoxy)propyl]methanimine is C=NCCCOc1ccc(C)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)propyl]methanimine?
The InChIKey is LRSRFKCMXBVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-10-4-6-11(7-5-10)13-9-3-8-12-2/h4-7H,2-3,8-9H2,1H3.
What are the key properties of N-[3-(4-methylphenoxy)propyl]methanimine?
N-[3-(4-methylphenoxy)propyl]methanimine has a molecular weight of 177.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)propyl]methanimine is sourced from PubChem (CID 20728474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).