3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine

C19H20ClFN2 — CID 10544460

IUPAC3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN2/c1-22(2)11-3-4-14-13-23(17-8-6-16(21)7-9-17)19-10-5-15(20)12-18(14)19/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyHYJGKLJJZPCABL-UHFFFAOYSA-N
MW330.83 g/mol
LogP4.92
Rot. Bonds5

About 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine

3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 10544460) has the molecular formula C19H20ClFN2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID10544460
Molecular FormulaC19H20ClFN2
Molecular Weight330.83 g/mol
Exact Mass330.13
IUPAC Name3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN2/c1-22(2)11-3-4-14-13-23(17-8-6-16(21)7-9-17)19-10-5-15(20)12-18(14)19/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyHYJGKLJJZPCABL-UHFFFAOYSA-N
XLogP4.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine (CID 10544460) is 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is HYJGKLJJZPCABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2/c1-22(2)11-3-4-14-13-23(17-8-6-16(21)7-9-17)19-10-5-15(20)12-18(14)19/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine?
3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 330.83 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10544460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).