N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine

C15H21FN2O — CID 166158001

IUPACN,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCCN(CC)CCc1c[nH]c2c(F)cc(OC)cc12
InChIInChI=1S/C15H21FN2O/c1-4-18(5-2)7-6-11-10-17-15-13(11)8-12(19-3)9-14(15)16/h8-10,17H,4-7H2,1-3H3
InChIKeyUHQCXRSBNVNIRR-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.20
Rot. Bonds6

About N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine

N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 166158001) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
PubChem CID166158001
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCCN(CC)CCc1c[nH]c2c(F)cc(OC)cc12
InChIInChI=1S/C15H21FN2O/c1-4-18(5-2)7-6-11-10-17-15-13(11)8-12(19-3)9-14(15)16/h8-10,17H,4-7H2,1-3H3
InChIKeyUHQCXRSBNVNIRR-UHFFFAOYSA-N
XLogP3.20
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine (CID 166158001) is N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine is CCN(CC)CCc1c[nH]c2c(F)cc(OC)cc12.
What is the InChIKey of N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is UHQCXRSBNVNIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-18(5-2)7-6-11-10-17-15-13(11)8-12(19-3)9-14(15)16/h8-10,17H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine?
N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 264.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 166158001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).