(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine

C11H12BrFN2 — CID 171225867

IUPAC(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H12BrFN2/c12-7-1-2-11-8(5-7)9(6-15-11)10(14)3-4-13/h1-2,5-6,10,15H,3-4,14H2/t10-/m0/s1
InChIKeyPPWIDIQOYLCQTD-JTQLQIEISA-N
MW271.13 g/mol
LogP3.29
Rot. Bonds3

About (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine

(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine (PubChem CID 171225867) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
PubChem CID171225867
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H12BrFN2/c12-7-1-2-11-8(5-7)9(6-15-11)10(14)3-4-13/h1-2,5-6,10,15H,3-4,14H2/t10-/m0/s1
InChIKeyPPWIDIQOYLCQTD-JTQLQIEISA-N
XLogP3.29
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
CID 71223546
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine (CID 171225867) is (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine is N[C@@H](CCF)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine?
The InChIKey is PPWIDIQOYLCQTD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12BrFN2/c12-7-1-2-11-8(5-7)9(6-15-11)10(14)3-4-13/h1-2,5-6,10,15H,3-4,14H2/t10-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine?
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine has a molecular weight of 271.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 171225867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).