2-fluoro-3-(1H-indol-3-yl)propan-1-amine

C11H13FN2 — CID 134163133

IUPAC2-fluoro-3-(1H-indol-3-yl)propan-1-amine
SMILESNCC(F)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H13FN2/c12-9(6-13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2
InChIKeyLWKZQNRILOYFGD-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.01
Rot. Bonds3

About 2-fluoro-3-(1H-indol-3-yl)propan-1-amine

2-fluoro-3-(1H-indol-3-yl)propan-1-amine (PubChem CID 134163133) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-fluoro-3-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(1H-indol-3-yl)propan-1-amine
PubChem CID134163133
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-fluoro-3-(1H-indol-3-yl)propan-1-amine
SMILESNCC(F)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H13FN2/c12-9(6-13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2
InChIKeyLWKZQNRILOYFGD-UHFFFAOYSA-N
XLogP2.01
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluoropropyl)-1H-indole
CID 134163131
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
CID 115121376
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(1H-indol-3-yl)propan-1-amine (CID 134163133) is 2-fluoro-3-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(1H-indol-3-yl)propan-1-amine is NCC(F)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-fluoro-3-(1H-indol-3-yl)propan-1-amine?
The InChIKey is LWKZQNRILOYFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-9(6-13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2.
What are the key properties of 2-fluoro-3-(1H-indol-3-yl)propan-1-amine?
2-fluoro-3-(1H-indol-3-yl)propan-1-amine has a molecular weight of 192.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 134163133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).