4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine

C18H20FN3O — CID 4008862

IUPAC4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1cccc(-c2[nH]c3c(F)cccc3c2CCCCN)n1
InChIInChI=1S/C18H20FN3O/c1-23-16-10-5-9-15(21-16)18-13(6-2-3-11-20)12-7-4-8-14(19)17(12)22-18/h4-5,7-10,22H,2-3,6,11,20H2,1H3
InChIKeyXESNHEOGURJXNX-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.66
Rot. Bonds6

About 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine

4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 4008862) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
PubChem CID4008862
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1cccc(-c2[nH]c3c(F)cccc3c2CCCCN)n1
InChIInChI=1S/C18H20FN3O/c1-23-16-10-5-9-15(21-16)18-13(6-2-3-11-20)12-7-4-8-14(19)17(12)22-18/h4-5,7-10,22H,2-3,6,11,20H2,1H3
InChIKeyXESNHEOGURJXNX-UHFFFAOYSA-N
XLogP3.66
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3397207
2-[3-(4-aminobutyl)-2-(6-methoxy-2-pyridinyl)-1H-indol-5-yl]acetic acid
CID 3945832
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
CID 3891466
4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3911726
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 5140210
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5037572
4-[2-(1-benzothiophen-3-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4537398
4-[2-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3270834
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[2-(5-bromo-2-chlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3393614
4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3541792

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine (CID 4008862) is 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine is COc1cccc(-c2[nH]c3c(F)cccc3c2CCCCN)n1.
What is the InChIKey of 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is XESNHEOGURJXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-23-16-10-5-9-15(21-16)18-13(6-2-3-11-20)12-7-4-8-14(19)17(12)22-18/h4-5,7-10,22H,2-3,6,11,20H2,1H3.
What are the key properties of 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 313.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4008862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).