4-methyl-3-propan-2-yl-1H-indole

C12H15N — CID 123915873

IUPAC4-methyl-3-propan-2-yl-1H-indole
SMILESCc1cccc2[nH]cc(C(C)C)c12
InChIInChI=1S/C12H15N/c1-8(2)10-7-13-11-6-4-5-9(3)12(10)11/h4-8,13H,1-3H3
InChIKeyDFWSLFKHOHFCOT-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.60
Rot. Bonds1

About 4-methyl-3-propan-2-yl-1H-indole

4-methyl-3-propan-2-yl-1H-indole (PubChem CID 123915873) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1H-indole
PubChem CID123915873
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-methyl-3-propan-2-yl-1H-indole
SMILESCc1cccc2[nH]cc(C(C)C)c12
InChIInChI=1S/C12H15N/c1-8(2)10-7-13-11-6-4-5-9(3)12(10)11/h4-8,13H,1-3H3
InChIKeyDFWSLFKHOHFCOT-UHFFFAOYSA-N
XLogP3.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
3-methyl-4-propan-2-yl-1H-indole
CID 142488673
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
3,4-dimethyl-1H-indole;ethane
CID 143293593
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole
CID 137287643
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
CID 84737103
(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063345
4-butan-2-yl-3-methyl-1H-indole
CID 123926805
ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
CID 171867517
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1H-indole?
The IUPAC name of 4-methyl-3-propan-2-yl-1H-indole (CID 123915873) is 4-methyl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1H-indole?
The canonical SMILES for 4-methyl-3-propan-2-yl-1H-indole is Cc1cccc2[nH]cc(C(C)C)c12.
What is the InChIKey of 4-methyl-3-propan-2-yl-1H-indole?
The InChIKey is DFWSLFKHOHFCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8(2)10-7-13-11-6-4-5-9(3)12(10)11/h4-8,13H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-1H-indole?
4-methyl-3-propan-2-yl-1H-indole has a molecular weight of 173.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 123915873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).