4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine

C18H20FN3 — CID 3397207

IUPAC4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3c(F)cccc3c2CCCCN)nc1
InChIInChI=1S/C18H20FN3/c1-12-8-9-16(21-11-12)18-14(5-2-3-10-20)13-6-4-7-15(19)17(13)22-18/h4,6-9,11,22H,2-3,5,10,20H2,1H3
InChIKeyMXLLQMURCPEVFE-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.96
Rot. Bonds5

About 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine

4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3397207) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3397207
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3c(F)cccc3c2CCCCN)nc1
InChIInChI=1S/C18H20FN3/c1-12-8-9-16(21-11-12)18-14(5-2-3-10-20)13-6-4-7-15(19)17(13)22-18/h4,6-9,11,22H,2-3,5,10,20H2,1H3
InChIKeyMXLLQMURCPEVFE-UHFFFAOYSA-N
XLogP3.96
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 4008862
4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 4310316
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
2-[3-(4-aminobutyl)-2-(5-methyl-2-pyridinyl)-1H-indol-5-yl]acetic acid
CID 5139292
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
CID 3891466
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-[2-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3569575

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine (CID 3397207) is 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine is Cc1ccc(-c2[nH]c3c(F)cccc3c2CCCCN)nc1.
What is the InChIKey of 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is MXLLQMURCPEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-12-8-9-16(21-11-12)18-14(5-2-3-10-20)13-6-4-7-15(19)17(13)22-18/h4,6-9,11,22H,2-3,5,10,20H2,1H3.
What are the key properties of 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine?
4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 297.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3397207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).