4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine

C15H23FN2 — CID 103494946

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCN1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2/c1-3-8-17-12(2)6-9-18-10-7-13-4-5-14(16)11-15(13)18/h4-5,11-12,17H,3,6-10H2,1-2H3
InChIKeyFVVQGXYZRGPTHN-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.97
Rot. Bonds6

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine (PubChem CID 103494946) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
PubChem CID103494946
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCN1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2/c1-3-8-17-12(2)6-9-18-10-7-13-4-5-14(16)11-15(13)18/h4-5,11-12,17H,3,6-10H2,1-2H3
InChIKeyFVVQGXYZRGPTHN-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
CID 103501858
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 103503185
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine (CID 103494946) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine is CCCNC(C)CCN1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine?
The InChIKey is FVVQGXYZRGPTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-8-17-12(2)6-9-18-10-7-13-4-5-14(16)11-15(13)18/h4-5,11-12,17H,3,6-10H2,1-2H3.
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine?
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 103494946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).