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

C18H17ClF2N2 — CID 3622916

IUPAC4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(F)cc2F)[nH]c2c(Cl)cccc12
InChIInChI=1S/C18H17ClF2N2/c19-15-6-3-5-13-12(4-1-2-9-22)17(23-18(13)15)14-8-7-11(20)10-16(14)21/h3,5-8,10,23H,1-2,4,9,22H2
InChIKeyNHYRPUZVTIBITI-UHFFFAOYSA-N
MW334.80 g/mol
LogP5.05
Rot. Bonds5

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

4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3622916) has the molecular formula C18H17ClF2N2 and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3622916
Molecular FormulaC18H17ClF2N2
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2ccc(F)cc2F)[nH]c2c(Cl)cccc12
InChIInChI=1S/C18H17ClF2N2/c19-15-6-3-5-13-12(4-1-2-9-22)17(23-18(13)15)14-8-7-11(20)10-16(14)21/h3,5-8,10,23H,1-2,4,9,22H2
InChIKeyNHYRPUZVTIBITI-UHFFFAOYSA-N
XLogP5.05
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 55.05
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-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[7-bromo-5-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 5022960
4-[2-(2,4-difluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3985960
4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 5140210
4-[2-(2-chloro-4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5217375
4-[2-(5-bromo-2-chlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 3393614
4-[7-chloro-2-(3-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5037572
4-[2-(2-chloro-4-fluorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 5013299
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3911726
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 3936091

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine (CID 3622916) is 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2ccc(F)cc2F)[nH]c2c(Cl)cccc12.
What is the InChIKey of 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is NHYRPUZVTIBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2/c19-15-6-3-5-13-12(4-1-2-9-22)17(23-18(13)15)14-8-7-11(20)10-16(14)21/h3,5-8,10,23H,1-2,4,9,22H2.
What are the key properties of 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 334.80 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3622916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).