4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine

C18H17Cl2FN2 — CID 5140210

IUPAC4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2cccc(Cl)c2Cl)[nH]c2c(F)cccc12
InChIInChI=1S/C18H17Cl2FN2/c19-14-8-3-7-13(16(14)20)17-11(5-1-2-10-22)12-6-4-9-15(21)18(12)23-17/h3-4,6-9,23H,1-2,5,10,22H2
InChIKeyJECNXKMUAAMLKG-UHFFFAOYSA-N
MW351.25 g/mol
LogP5.56
Rot. Bonds5

About 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine

4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine (PubChem CID 5140210) has the molecular formula C18H17Cl2FN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
PubChem CID5140210
Molecular FormulaC18H17Cl2FN2
Molecular Weight351.25 g/mol
Exact Mass350.08
IUPAC Name4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2cccc(Cl)c2Cl)[nH]c2c(F)cccc12
InChIInChI=1S/C18H17Cl2FN2/c19-14-8-3-7-13(16(14)20)17-11(5-1-2-10-22)12-6-4-9-15(21)18(12)23-17/h3-4,6-9,23H,1-2,5,10,22H2
InChIKeyJECNXKMUAAMLKG-UHFFFAOYSA-N
XLogP5.56
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 55.56
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-[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-(5-bromo-2-chlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3393614
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-[2-(2,3-dichlorophenyl)-4,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5158000
4-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 5183043
4-[2-(1-benzothiophen-3-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4537398
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3569575
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
CID 3891466
4-[2-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3270834
4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3397207
4-[2-(2,3-dichlorophenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4647984

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine (CID 5140210) is 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2cccc(Cl)c2Cl)[nH]c2c(F)cccc12.
What is the InChIKey of 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine?
The InChIKey is JECNXKMUAAMLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2/c19-14-8-3-7-13(16(14)20)17-11(5-1-2-10-22)12-6-4-9-15(21)18(12)23-17/h3-4,6-9,23H,1-2,5,10,22H2.
What are the key properties of 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine?
4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine has a molecular weight of 351.25 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 5140210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).