N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine

C15H17NO2 — CID 90458687

IUPACN-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine
SMILESCOc1cc(C)ccc1/N=C/Cc1occc1C
InChIInChI=1S/C15H17NO2/c1-11-4-5-13(15(10-11)17-3)16-8-6-14-12(2)7-9-18-14/h4-5,7-10H,6H2,1-3H3/b16-8+
InChIKeyOQWNFYIJZHUIDB-LZYBPNLTSA-N
MW243.31 g/mol
LogP3.85
Rot. Bonds4

About N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine

N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine (PubChem CID 90458687) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine
PubChem CID90458687
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine
SMILESCOc1cc(C)ccc1/N=C/Cc1occc1C
InChIInChI=1S/C15H17NO2/c1-11-4-5-13(15(10-11)17-3)16-8-6-14-12(2)7-9-18-14/h4-5,7-10H,6H2,1-3H3/b16-8+
InChIKeyOQWNFYIJZHUIDB-LZYBPNLTSA-N
XLogP3.85
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.85
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

N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
CID 90458221
1-azido-2-methoxy-4-methylbenzene
CID 152671087
N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90457301
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
CID 118868224
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651246
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine
CID 735409
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine (CID 90458687) is N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine is COc1cc(C)ccc1/N=C/Cc1occc1C.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine?
The InChIKey is OQWNFYIJZHUIDB-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-4-5-13(15(10-11)17-3)16-8-6-14-12(2)7-9-18-14/h4-5,7-10H,6H2,1-3H3/b16-8+.
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine?
N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine has a molecular weight of 243.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine is sourced from PubChem (CID 90458687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).