4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine

C22H21FN2 — CID 3891466

IUPAC4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccc3ccccc3c2)[nH]c2c(F)cccc12
InChIInChI=1S/C22H21FN2/c23-20-10-5-9-19-18(8-3-4-13-24)21(25-22(19)20)17-12-11-15-6-1-2-7-16(15)14-17/h1-2,5-7,9-12,14,25H,3-4,8,13,24H2
InChIKeyOYGVAXRWTFRVMZ-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.41
Rot. Bonds5

About 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine

4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 3891466) has the molecular formula C22H21FN2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
PubChem CID3891466
Molecular FormulaC22H21FN2
Molecular Weight332.42 g/mol
Exact Mass332.17
IUPAC Name4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccc3ccccc3c2)[nH]c2c(F)cccc12
InChIInChI=1S/C22H21FN2/c23-20-10-5-9-19-18(8-3-4-13-24)21(25-22(19)20)17-12-11-15-6-1-2-7-16(15)14-17/h1-2,5-7,9-12,14,25H,3-4,8,13,24H2
InChIKeyOYGVAXRWTFRVMZ-UHFFFAOYSA-N
XLogP5.41
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3270834
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3569575
4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3911726
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[2-(1-benzothiophen-3-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4537398
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-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[2-(5-bromo-2-chlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3393614
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862
4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 4008862
4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3397207

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine (CID 3891466) is 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine is NCCCCc1c(-c2ccc3ccccc3c2)[nH]c2c(F)cccc12.
What is the InChIKey of 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is OYGVAXRWTFRVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2/c23-20-10-5-9-19-18(8-3-4-13-24)21(25-22(19)20)17-12-11-15-6-1-2-7-16(15)14-17/h1-2,5-7,9-12,14,25H,3-4,8,13,24H2.
What are the key properties of 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine?
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 332.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 3891466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).