N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride

C20H23ClN2O — CID 170839740

IUPACN-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;/h5-14H,1-4H3;1H/b19-13?,21-14+;
InChIKeyOXPKRRHGPFICAE-YEYRTZHDSA-N
MW342.87 g/mol
LogP5.13
Rot. Bonds3

About N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride

N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride (PubChem CID 170839740) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
PubChem CID170839740
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;/h5-14H,1-4H3;1H/b19-13?,21-14+;
InChIKeyOXPKRRHGPFICAE-YEYRTZHDSA-N
XLogP5.13
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.13
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

(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 170845454
(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 72728773
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2376526
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183
(E,4Z)-2-(1H-benzimidazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enenitrile;(2Z)-N-(4-methoxyphenyl)-2-(1,3,3,7-tetramethylindol-2-ylidene)ethanimine;2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]propanedinitrile
CID 158736978
N-(4-methoxyphenyl)-1-[4-[phenyl-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]oxyphenyl]methanimine
CID 11865027
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride (CID 170839740) is N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride is COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
The InChIKey is OXPKRRHGPFICAE-YEYRTZHDSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;/h5-14H,1-4H3;1H/b19-13?,21-14+;.
What are the key properties of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride is sourced from PubChem (CID 170839740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).