N-ethylmethanimine;1-methyl-3-propoxybenzene

C13H21NO — CID 157286038

IUPACN-ethylmethanimine;1-methyl-3-propoxybenzene
SMILESC=NCC.CCCOc1cccc(C)c1
InChIInChI=1S/C10H14O.C3H7N/c1-3-7-11-10-6-4-5-9(2)8-10;1-3-4-2/h4-6,8H,3,7H2,1-2H3;2-3H2,1H3
InChIKeyBAFZVSGBHZAEIK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.49
Rot. Bonds4

About N-ethylmethanimine;1-methyl-3-propoxybenzene

N-ethylmethanimine;1-methyl-3-propoxybenzene (PubChem CID 157286038) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethylmethanimine;1-methyl-3-propoxybenzene.

Molecular Properties

Compound NameN-ethylmethanimine;1-methyl-3-propoxybenzene
PubChem CID157286038
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethylmethanimine;1-methyl-3-propoxybenzene
SMILESC=NCC.CCCOc1cccc(C)c1
InChIInChI=1S/C10H14O.C3H7N/c1-3-7-11-10-6-4-5-9(2)8-10;1-3-4-2/h4-6,8H,3,7H2,1-2H3;2-3H2,1H3
InChIKeyBAFZVSGBHZAEIK-UHFFFAOYSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
propyl 2-(3-methylphenoxy)acetate
CID 78907736
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
trimethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 160571786
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
CID 170739298

Frequently Asked Questions

What is the IUPAC name of N-ethylmethanimine;1-methyl-3-propoxybenzene?
The IUPAC name of N-ethylmethanimine;1-methyl-3-propoxybenzene (CID 157286038) is N-ethylmethanimine;1-methyl-3-propoxybenzene.
What is the SMILES notation for N-ethylmethanimine;1-methyl-3-propoxybenzene?
The canonical SMILES for N-ethylmethanimine;1-methyl-3-propoxybenzene is C=NCC.CCCOc1cccc(C)c1.
What is the InChIKey of N-ethylmethanimine;1-methyl-3-propoxybenzene?
The InChIKey is BAFZVSGBHZAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H7N/c1-3-7-11-10-6-4-5-9(2)8-10;1-3-4-2/h4-6,8H,3,7H2,1-2H3;2-3H2,1H3.
What are the key properties of N-ethylmethanimine;1-methyl-3-propoxybenzene?
N-ethylmethanimine;1-methyl-3-propoxybenzene has a molecular weight of 207.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylmethanimine;1-methyl-3-propoxybenzene is sourced from PubChem (CID 157286038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).