N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine

C12H15FN2 — CID 83776084

IUPACN-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H15FN2/c1-8(2)14-6-9-7-15-12-4-3-10(13)5-11(9)12/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyLSLDGQIYUCMSTH-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.81
Rot. Bonds3

About N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine

N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine (PubChem CID 83776084) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
PubChem CID83776084
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC NameN-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H15FN2/c1-8(2)14-6-9-7-15-12-4-3-10(13)5-11(9)12/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyLSLDGQIYUCMSTH-UHFFFAOYSA-N
XLogP2.81
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
CID 58748813
CID 58748813
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
CID 117178576
3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine (CID 83776084) is N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine is CC(C)NCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine?
The InChIKey is LSLDGQIYUCMSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-8(2)14-6-9-7-15-12-4-3-10(13)5-11(9)12/h3-5,7-8,14-15H,6H2,1-2H3.
What are the key properties of N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine?
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 83776084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).