2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole

C22H27N — CID 142538939

IUPAC2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole
SMILESCCCc1ccccc1Cn1c(C)c(C(C)C)c2ccccc21
InChIInChI=1S/C22H27N/c1-5-10-18-11-6-7-12-19(18)15-23-17(4)22(16(2)3)20-13-8-9-14-21(20)23/h6-9,11-14,16H,5,10,15H2,1-4H3
InChIKeyHFPNJPSXKHKMKW-UHFFFAOYSA-N
MW305.47 g/mol
LogP6.07
Rot. Bonds5

About 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole

2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole (PubChem CID 142538939) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole
PubChem CID142538939
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole
SMILESCCCc1ccccc1Cn1c(C)c(C(C)C)c2ccccc21
InChIInChI=1S/C22H27N/c1-5-10-18-11-6-7-12-19(18)15-23-17(4)22(16(2)3)20-13-8-9-14-21(20)23/h6-9,11-14,16H,5,10,15H2,1-4H3
InChIKeyHFPNJPSXKHKMKW-UHFFFAOYSA-N
XLogP6.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-3-[(2-methyl-3-propylindol-1-yl)methyl]aniline
CID 166823066
9-[[2-(3-phenyl-2-propan-2-ylphenyl)phenyl]methyl]carbazole
CID 176781617
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
CID 17157794
(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
CID 41449135
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine;hydrochloride
CID 17157793
3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
CID 170878721
1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
CID 143391090
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine
CID 17157762
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-1-amine
CID 17157200
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
1-butyl-3-[(1-butyl-2-methylindol-3-yl)-pyridin-4-ylmethyl]-2-methylindole
CID 19888216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole?
The IUPAC name of 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole (CID 142538939) is 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole.
What is the SMILES notation for 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole?
The canonical SMILES for 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole is CCCc1ccccc1Cn1c(C)c(C(C)C)c2ccccc21.
What is the InChIKey of 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole?
The InChIKey is HFPNJPSXKHKMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-5-10-18-11-6-7-12-19(18)15-23-17(4)22(16(2)3)20-13-8-9-14-21(20)23/h6-9,11-14,16H,5,10,15H2,1-4H3.
What are the key properties of 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole?
2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole has a molecular weight of 305.47 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole is sourced from PubChem (CID 142538939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).