N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine

C18H17NO — CID 126207356

IUPACN-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine
SMILESC#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1
InChIInChI=1S/C18H17NO/c1-4-12-20-17-10-8-16(9-11-17)13-19-18-7-5-6-14(2)15(18)3/h1,5-11,13H,12H2,2-3H3/b19-13+
InChIKeyLXRXGHVZNBFNMI-CPNJWEJPSA-N
MW263.34 g/mol
LogP4.07
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine

N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine (PubChem CID 126207356) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine
PubChem CID126207356
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine
SMILESC#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1
InChIInChI=1S/C18H17NO/c1-4-12-20-17-10-8-16(9-11-17)13-19-18-7-5-6-14(2)15(18)3/h1,5-11,13H,12H2,2-3H3/b19-13+
InChIKeyLXRXGHVZNBFNMI-CPNJWEJPSA-N
XLogP4.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2,3-dimethylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126207241
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 780574
1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126217700
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
ethane;prop-2-ynoxybenzene
CID 144946264
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
N-(2,3-dimethylphenyl)propan-1-imine
CID 139886218
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
(5E)-1-(2-methylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 21377556
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126217870

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine (CID 126207356) is N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine is C#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine?
The InChIKey is LXRXGHVZNBFNMI-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H17NO/c1-4-12-20-17-10-8-16(9-11-17)13-19-18-7-5-6-14(2)15(18)3/h1,5-11,13H,12H2,2-3H3/b19-13+.
What are the key properties of N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine?
N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine has a molecular weight of 263.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4-prop-2-ynoxyphenyl)methanimine is sourced from PubChem (CID 126207356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).