2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde

C22H25NO2 — CID 3743969

IUPAC2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCCOc1ccc(C(C)CC)cc1-c1cc2ccc(C)cn2c1C=O
InChIInChI=1S/C22H25NO2/c1-5-16(4)17-8-10-22(25-6-2)20(11-17)19-12-18-9-7-15(3)13-23(18)21(19)14-24/h7-14,16H,5-6H2,1-4H3
InChIKeySAZJXUJTNRRDEG-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.64
Rot. Bonds6

About 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde

2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde (PubChem CID 3743969) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
PubChem CID3743969
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCCOc1ccc(C(C)CC)cc1-c1cc2ccc(C)cn2c1C=O
InChIInChI=1S/C22H25NO2/c1-5-16(4)17-8-10-22(25-6-2)20(11-17)19-12-18-9-7-15(3)13-23(18)21(19)14-24/h7-14,16H,5-6H2,1-4H3
InChIKeySAZJXUJTNRRDEG-UHFFFAOYSA-N
XLogP5.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
3-[(2R)-butan-2-yl]-4-ethoxybenzaldehyde
CID 86324040
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207

Frequently Asked Questions

What is the IUPAC name of 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde (CID 3743969) is 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde is CCOc1ccc(C(C)CC)cc1-c1cc2ccc(C)cn2c1C=O.
What is the InChIKey of 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The InChIKey is SAZJXUJTNRRDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-5-16(4)17-8-10-22(25-6-2)20(11-17)19-12-18-9-7-15(3)13-23(18)21(19)14-24/h7-14,16H,5-6H2,1-4H3.
What are the key properties of 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde has a molecular weight of 335.45 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3743969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).