N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine

C13H19NO2 — CID 10857049

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
SMILESCOc1ccc(CCN=C(C)C)cc1OC
InChIInChI=1S/C13H19NO2/c1-10(2)14-8-7-11-5-6-12(15-3)13(9-11)16-4/h5-6,9H,7-8H2,1-4H3
InChIKeyGUNVLFWKTPRLOJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine

N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine (PubChem CID 10857049) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
PubChem CID10857049
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
SMILESCOc1ccc(CCN=C(C)C)cc1OC
InChIInChI=1S/C13H19NO2/c1-10(2)14-8-7-11-5-6-12(15-3)13(9-11)16-4/h5-6,9H,7-8H2,1-4H3
InChIKeyGUNVLFWKTPRLOJ-UHFFFAOYSA-N
XLogP2.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539
N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
CID 63173820
1-tert-butyl-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 110912009
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 8773671
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030
2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
(4-chlorophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 9357770
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
CID 129259360
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 111001659
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylguanidine
CID 7197497

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine (CID 10857049) is N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine is COc1ccc(CCN=C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine?
The InChIKey is GUNVLFWKTPRLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)14-8-7-11-5-6-12(15-3)13(9-11)16-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine?
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine has a molecular weight of 221.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine is sourced from PubChem (CID 10857049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).