1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine

C16H25NO2 — CID 10539917

IUPAC1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
SMILESCOc1ccc(OC)c(/C=N/C(C(C)C)C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-11(2)16(12(3)4)17-10-13-9-14(18-5)7-8-15(13)19-6/h7-12,16H,1-6H3/b17-10+
InChIKeyDFVBQQRFPMXPPP-LICLKQGHSA-N
MW263.38 g/mol
LogP3.80
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine

1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine (PubChem CID 10539917) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
PubChem CID10539917
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
SMILESCOc1ccc(OC)c(/C=N/C(C(C)C)C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-11(2)16(12(3)4)17-10-13-9-14(18-5)7-8-15(13)19-6/h7-12,16H,1-6H3/b17-10+
InChIKeyDFVBQQRFPMXPPP-LICLKQGHSA-N
XLogP3.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.80
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-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
CID 135828952
2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine (CID 10539917) is 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine is COc1ccc(OC)c(/C=N/C(C(C)C)C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
The InChIKey is DFVBQQRFPMXPPP-LICLKQGHSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)16(12(3)4)17-10-13-9-14(18-5)7-8-15(13)19-6/h7-12,16H,1-6H3/b17-10+.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine has a molecular weight of 263.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine is sourced from PubChem (CID 10539917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).