2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine

C12H18N2O — CID 121346383

IUPAC2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine
SMILESCNCC/N=C/c1ccc(C)c(OC)c1
InChIInChI=1S/C12H18N2O/c1-10-4-5-11(8-12(10)15-3)9-14-7-6-13-2/h4-5,8-9,13H,6-7H2,1-3H3/b14-9+
InChIKeyUCPHRAIUSAKWMA-NTEUORMPSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds5

About 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine

2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine (PubChem CID 121346383) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine
PubChem CID121346383
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine
SMILESCNCC/N=C/c1ccc(C)c(OC)c1
InChIInChI=1S/C12H18N2O/c1-10-4-5-11(8-12(10)15-3)9-14-7-6-13-2/h4-5,8-9,13H,6-7H2,1-3H3/b14-9+
InChIKeyUCPHRAIUSAKWMA-NTEUORMPSA-N
XLogP1.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
CID 70090398
[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite
CID 172602321
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
CID 170495663
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006
4-(4-chlorobut-1-enyl)-2-methoxy-1-methylbenzene
CID 170499056
1,7-bis(3-methoxy-4-methylphenyl)hepta-1,6-diene-3,5-dione
CID 58901396
2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonic acid
CID 170554767
N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 3365484
potassium 2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonate
CID 170554766
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358
5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine?
The IUPAC name of 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine (CID 121346383) is 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine.
What is the SMILES notation for 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine?
The canonical SMILES for 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine is CNCC/N=C/c1ccc(C)c(OC)c1.
What is the InChIKey of 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine?
The InChIKey is UCPHRAIUSAKWMA-NTEUORMPSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-4-5-11(8-12(10)15-3)9-14-7-6-13-2/h4-5,8-9,13H,6-7H2,1-3H3/b14-9+.
What are the key properties of 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine?
2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine is sourced from PubChem (CID 121346383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).