3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole

C23H20IN — CID 132532130

IUPAC3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole
SMILESCn1cc(CC(c2ccccc2)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C23H20IN/c1-25-16-19(21-9-5-6-10-23(21)25)15-22(17-7-3-2-4-8-17)18-11-13-20(24)14-12-18/h2-14,16,22H,15H2,1H3
InChIKeyXAISZJFZVFQVDE-UHFFFAOYSA-N
MW437.32 g/mol
LogP6.16
Rot. Bonds4

About 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole

3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole (PubChem CID 132532130) has the molecular formula C23H20IN and a molecular weight of 437.32 g/mol. Its IUPAC name is 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole.

Molecular Properties

Compound Name3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole
PubChem CID132532130
Molecular FormulaC23H20IN
Molecular Weight437.32 g/mol
Exact Mass437.06
IUPAC Name3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole
SMILESCn1cc(CC(c2ccccc2)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C23H20IN/c1-25-16-19(21-9-5-6-10-23(21)25)15-22(17-7-3-2-4-8-17)18-11-13-20(24)14-12-18/h2-14,16,22H,15H2,1H3
InChIKeyXAISZJFZVFQVDE-UHFFFAOYSA-N
XLogP6.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.32
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one
CID 154573734
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213
2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 177167757
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
N-[1-(1-methylindol-3-yl)propan-2-yl]formamide
CID 166490360
3-(methoxymethyl)-1-methylindole
CID 18711466

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole?
The IUPAC name of 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole (CID 132532130) is 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole.
What is the SMILES notation for 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole?
The canonical SMILES for 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole is Cn1cc(CC(c2ccccc2)c2ccc(I)cc2)c2ccccc21.
What is the InChIKey of 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole?
The InChIKey is XAISZJFZVFQVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN/c1-25-16-19(21-9-5-6-10-23(21)25)15-22(17-7-3-2-4-8-17)18-11-13-20(24)14-12-18/h2-14,16,22H,15H2,1H3.
What are the key properties of 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole?
3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole has a molecular weight of 437.32 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole is sourced from PubChem (CID 132532130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).