N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine

C16H17ClFN3 — CID 103502907

IUPACN-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(N2CCc3ccc(F)cc32)ccc1Cl
InChIInChI=1S/C16H17ClFN3/c1-2-19-10-14-13(17)5-6-16(20-14)21-8-7-11-3-4-12(18)9-15(11)21/h3-6,9,19H,2,7-8,10H2,1H3
InChIKeyBGHHOQZZNWYUHB-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.68
Rot. Bonds4

About N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 103502907) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID103502907
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC NameN-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(N2CCc3ccc(F)cc32)ccc1Cl
InChIInChI=1S/C16H17ClFN3/c1-2-19-10-14-13(17)5-6-16(20-14)21-8-7-11-3-4-12(18)9-15(11)21/h3-6,9,19H,2,7-8,10H2,1H3
InChIKeyBGHHOQZZNWYUHB-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103502851
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 103504469
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502844
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 103499268
[2-(6-fluoro-2,3-dihydroindol-1-yl)-6-methyl-4-pyridinyl]methanol
CID 103501402
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 103502859
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxypyridin-3-amine
CID 103493912
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
CID 103500848
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine (CID 103502907) is N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(N2CCc3ccc(F)cc32)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is BGHHOQZZNWYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c1-2-19-10-14-13(17)5-6-16(20-14)21-8-7-11-3-4-12(18)9-15(11)21/h3-6,9,19H,2,7-8,10H2,1H3.
What are the key properties of N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 305.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103502907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).