(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium

C21H25N2O+ — CID 72728773

IUPAC(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
SMILESCOc1ccc(/[N+](C)=C/C=C2N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C21H25N2O/c1-21(2)18-8-6-7-9-19(18)23(4)20(21)14-15-22(3)16-10-12-17(24-5)13-11-16/h6-15H,1-5H3/q+1
InChIKeyGFHUQTRZDOPFRW-UHFFFAOYSA-N
MW321.44 g/mol
LogP4.35
Rot. Bonds3

About (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium

(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium (PubChem CID 72728773) has the molecular formula C21H25N2O+ and a molecular weight of 321.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
PubChem CID72728773
Molecular FormulaC21H25N2O+
Molecular Weight321.44 g/mol
Exact Mass321.20
IUPAC Name(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
SMILESCOc1ccc(/[N+](C)=C/C=C2N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C21H25N2O/c1-21(2)18-8-6-7-9-19(18)23(4)20(21)14-15-22(3)16-10-12-17(24-5)13-11-16/h6-15H,1-5H3/q+1
InChIKeyGFHUQTRZDOPFRW-UHFFFAOYSA-N
XLogP4.35
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
CID 73448945
dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
CID 2770749
(E,1E)-4-(4-methoxyphenyl)-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 2326972
5-methoxy-2,3,3-trimethyl-1-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium
CID 6913238
(4-methoxyphenyl)methyl-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;oxalic acid
CID 154735098
4-methoxy-N-methyl-N-[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]benzenesulfonamide
CID 2497674
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3359940
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
(E,1E,5E)-1,5-bis(1,3,3-trimethylindol-2-ylidene)pent-3-en-2-one
CID 44669507

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium?
The IUPAC name of (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium (CID 72728773) is (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium.
What is the SMILES notation for (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium?
The canonical SMILES for (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium is COc1ccc(/[N+](C)=C/C=C2N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium?
The InChIKey is GFHUQTRZDOPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2O/c1-21(2)18-8-6-7-9-19(18)23(4)20(21)14-15-22(3)16-10-12-17(24-5)13-11-16/h6-15H,1-5H3/q+1.
What are the key properties of (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium?
(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium has a molecular weight of 321.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium is sourced from PubChem (CID 72728773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).