(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine

C12H15FN2 — CID 149406796

IUPAC(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
SMILESCc1cc2[nH]cc(C[C@H](C)N)c2cc1F
InChIInChI=1S/C12H15FN2/c1-7-3-12-10(5-11(7)13)9(6-15-12)4-8(2)14/h3,5-6,8,15H,4,14H2,1-2H3/t8-/m0/s1
InChIKeyYQLIOPFGSJVREI-QMMMGPOBSA-N
MW206.26 g/mol
LogP2.51
Rot. Bonds2

About (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine

(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine (PubChem CID 149406796) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
PubChem CID149406796
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
SMILESCc1cc2[nH]cc(C[C@H](C)N)c2cc1F
InChIInChI=1S/C12H15FN2/c1-7-3-12-10(5-11(7)13)9(6-15-12)4-8(2)14/h3,5-6,8,15H,4,14H2,1-2H3/t8-/m0/s1
InChIKeyYQLIOPFGSJVREI-QMMMGPOBSA-N
XLogP2.51
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-1-(5-isocyano-1H-indol-3-yl)propan-2-amine
CID 153426014
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole
CID 163636183
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
1-(4-fluoro-1H-indol-5-yl)propan-2-amine
CID 117283015
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine (CID 149406796) is (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine is Cc1cc2[nH]cc(C[C@H](C)N)c2cc1F.
What is the InChIKey of (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is YQLIOPFGSJVREI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FN2/c1-7-3-12-10(5-11(7)13)9(6-15-12)4-8(2)14/h3,5-6,8,15H,4,14H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine?
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 149406796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).