1-[(4-tert-butylphenyl)methyl]-5-ethylindole

C21H25N — CID 110831210

IUPAC1-[(4-tert-butylphenyl)methyl]-5-ethylindole
SMILESCCc1ccc2c(ccn2Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H25N/c1-5-16-8-11-20-18(14-16)12-13-22(20)15-17-6-9-19(10-7-17)21(2,3)4/h6-14H,5,15H2,1-4H3
InChIKeyBITTXOXOTNGXDK-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.55
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-5-ethylindole

1-[(4-tert-butylphenyl)methyl]-5-ethylindole (PubChem CID 110831210) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-5-ethylindole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-5-ethylindole
PubChem CID110831210
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1-[(4-tert-butylphenyl)methyl]-5-ethylindole
SMILESCCc1ccc2c(ccn2Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H25N/c1-5-16-8-11-20-18(14-16)12-13-22(20)15-17-6-9-19(10-7-17)21(2,3)4/h6-14H,5,15H2,1-4H3
InChIKeyBITTXOXOTNGXDK-UHFFFAOYSA-N
XLogP5.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
CID 110831226
5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole
CID 164627550
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indole
CID 22032965
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
1-tert-butyl-4-ethylbenzene
CID 157359507
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-5-ethylindole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-5-ethylindole (CID 110831210) is 1-[(4-tert-butylphenyl)methyl]-5-ethylindole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-5-ethylindole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-5-ethylindole is CCc1ccc2c(ccn2Cc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-5-ethylindole?
The InChIKey is BITTXOXOTNGXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-5-16-8-11-20-18(14-16)12-13-22(20)15-17-6-9-19(10-7-17)21(2,3)4/h6-14H,5,15H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-5-ethylindole?
1-[(4-tert-butylphenyl)methyl]-5-ethylindole has a molecular weight of 291.44 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-5-ethylindole is sourced from PubChem (CID 110831210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).