4-(5-fluoro-1-methylindol-6-yl)butan-1-amine

C13H17FN2 — CID 115003362

IUPAC4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
SMILESCn1ccc2cc(F)c(CCCCN)cc21
InChIInChI=1S/C13H17FN2/c1-16-7-5-11-8-12(14)10(9-13(11)16)4-2-3-6-15/h5,7-9H,2-4,6,15H2,1H3
InChIKeyBRCNBYISQJAWGP-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.60
Rot. Bonds4

About 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine

4-(5-fluoro-1-methylindol-6-yl)butan-1-amine (PubChem CID 115003362) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
PubChem CID115003362
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
SMILESCn1ccc2cc(F)c(CCCCN)cc21
InChIInChI=1S/C13H17FN2/c1-16-7-5-11-8-12(14)10(9-13(11)16)4-2-3-6-15/h5,7-9H,2-4,6,15H2,1H3
InChIKeyBRCNBYISQJAWGP-UHFFFAOYSA-N
XLogP2.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-1-methylindol-5-yl)ethanamine;hydrochloride
CID 135381436
4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327284
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
5-fluoro-6-isocyano-1-methylindole
CID 170653117
3-(1-methylindol-5-yl)oxypropan-1-amine
CID 84672497
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
CID 84631405
2-(4-fluoro-1-methylindol-5-yl)ethanamine
CID 96624175
5,7-difluoro-1-methylindol-6-amine
CID 117274554
5-(4-aminobutyl)-4-fluoro-2-methylbenzoic acid
CID 117323433

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine?
The IUPAC name of 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine (CID 115003362) is 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine.
What is the SMILES notation for 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine?
The canonical SMILES for 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine is Cn1ccc2cc(F)c(CCCCN)cc21.
What is the InChIKey of 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine?
The InChIKey is BRCNBYISQJAWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-16-7-5-11-8-12(14)10(9-13(11)16)4-2-3-6-15/h5,7-9H,2-4,6,15H2,1H3.
What are the key properties of 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine?
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylindol-6-yl)butan-1-amine is sourced from PubChem (CID 115003362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).