N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine

C13H17FN2 — CID 83822411

IUPACN-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine
SMILESCc1cc2c(NCC(C)(C)F)cccc2[nH]1
InChIInChI=1S/C13H17FN2/c1-9-7-10-11(15-8-13(2,3)14)5-4-6-12(10)16-9/h4-7,15-16H,8H2,1-3H3
InChIKeyMOWIKVOWSZGOFD-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.64
Rot. Bonds3

About N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine

N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine (PubChem CID 83822411) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine
PubChem CID83822411
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine
SMILESCc1cc2c(NCC(C)(C)F)cccc2[nH]1
InChIInChI=1S/C13H17FN2/c1-9-7-10-11(15-8-13(2,3)14)5-4-6-12(10)16-9/h4-7,15-16H,8H2,1-3H3
InChIKeyMOWIKVOWSZGOFD-UHFFFAOYSA-N
XLogP3.64
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
2,4-dimethyl-1H-indole;ethane
CID 91303970
4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
CID 71834899
N-(2-tert-butyl-1H-indol-4-yl)-3-chloropropanamide
CID 90244956
N-(2-methyl-1H-indol-4-yl)-3-morpholin-4-ylpropanamide
CID 138457611
N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine
CID 89305808
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
4-(ethoxymethyl)-2-methyl-1H-indole
CID 122222423
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[(2-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 145174010

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine (CID 83822411) is N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine is Cc1cc2c(NCC(C)(C)F)cccc2[nH]1.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine?
The InChIKey is MOWIKVOWSZGOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9-7-10-11(15-8-13(2,3)14)5-4-6-12(10)16-9/h4-7,15-16H,8H2,1-3H3.
What are the key properties of N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine?
N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine has a molecular weight of 220.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine is sourced from PubChem (CID 83822411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).