1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine

C15H20F2N2 — CID 166670459

IUPAC1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1c[nH]c2cc(F)c(F)cc12)NC
InChIInChI=1S/C15H20F2N2/c1-3-4-5-11(18-2)6-10-9-19-15-8-14(17)13(16)7-12(10)15/h7-9,11,18-19H,3-6H2,1-2H3
InChIKeyYOWILHQYCSWOBL-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.77
Rot. Bonds6

About 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine

1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine (PubChem CID 166670459) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine
PubChem CID166670459
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1c[nH]c2cc(F)c(F)cc12)NC
InChIInChI=1S/C15H20F2N2/c1-3-4-5-11(18-2)6-10-9-19-15-8-14(17)13(16)7-12(10)15/h7-9,11,18-19H,3-6H2,1-2H3
InChIKeyYOWILHQYCSWOBL-UHFFFAOYSA-N
XLogP3.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine?
The IUPAC name of 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine (CID 166670459) is 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine is CCCCC(Cc1c[nH]c2cc(F)c(F)cc12)NC.
What is the InChIKey of 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine?
The InChIKey is YOWILHQYCSWOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-3-4-5-11(18-2)6-10-9-19-15-8-14(17)13(16)7-12(10)15/h7-9,11,18-19H,3-6H2,1-2H3.
What are the key properties of 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine?
1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine is sourced from PubChem (CID 166670459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).