N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine

C16H23FN2O — CID 166158145

IUPACN-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2c(F)cc(OC)cc12
InChIInChI=1S/C16H23FN2O/c1-4-7-19(5-2)8-6-12-11-18-16-14(12)9-13(20-3)10-15(16)17/h9-11,18H,4-8H2,1-3H3
InChIKeyLKILHRXEMOUADQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine

N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 166158145) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID166158145
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2c(F)cc(OC)cc12
InChIInChI=1S/C16H23FN2O/c1-4-7-19(5-2)8-6-12-11-18-16-14(12)9-13(20-3)10-15(16)17/h9-11,18H,4-8H2,1-3H3
InChIKeyLKILHRXEMOUADQ-UHFFFAOYSA-N
XLogP3.59
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine (CID 166158145) is N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine is CCCN(CC)CCc1c[nH]c2c(F)cc(OC)cc12.
What is the InChIKey of N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is LKILHRXEMOUADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-7-19(5-2)8-6-12-11-18-16-14(12)9-13(20-3)10-15(16)17/h9-11,18H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine?
N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 278.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 166158145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).