N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine

C15H23FN2 — CID 103503406

IUPACN-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCN1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2/c1-12(2)5-7-17-8-10-18-9-6-13-3-4-14(16)11-15(13)18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyICLRSGUWHJCTJJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine

N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 103503406) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
PubChem CID103503406
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCN1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2/c1-12(2)5-7-17-8-10-18-9-6-13-3-4-14(16)11-15(13)18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyICLRSGUWHJCTJJ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 103503185
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
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-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
CID 103503442
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103503388
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine (CID 103503406) is N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine is CC(C)CCNCCN1CCc2ccc(F)cc21.
What is the InChIKey of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is ICLRSGUWHJCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)5-7-17-8-10-18-9-6-13-3-4-14(16)11-15(13)18/h3-4,11-12,17H,5-10H2,1-2H3.
What are the key properties of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine?
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 103503406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).