N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine

C16H25FN2 — CID 106800163

IUPACN-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
SMILESCCNC(CC)CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C16H25FN2/c1-3-15(18-4-2)6-5-10-19-11-9-13-7-8-14(17)12-16(13)19/h7-8,12,15,18H,3-6,9-11H2,1-2H3
InChIKeyKCZBYFDOGFNUNZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.36
Rot. Bonds7

About N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine

N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine (PubChem CID 106800163) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
PubChem CID106800163
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
SMILESCCNC(CC)CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C16H25FN2/c1-3-15(18-4-2)6-5-10-19-11-9-13-7-8-14(17)12-16(13)19/h7-8,12,15,18H,3-6,9-11H2,1-2H3
InChIKeyKCZBYFDOGFNUNZ-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 103503185
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine?
The IUPAC name of N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine (CID 106800163) is N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine is CCNC(CC)CCCN1CCc2ccc(F)cc21.
What is the InChIKey of N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine?
The InChIKey is KCZBYFDOGFNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-15(18-4-2)6-5-10-19-11-9-13-7-8-14(17)12-16(13)19/h7-8,12,15,18H,3-6,9-11H2,1-2H3.
What are the key properties of N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine?
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine has a molecular weight of 264.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine is sourced from PubChem (CID 106800163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).