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

C17H16ClFN2 — CID 10518508

IUPAC1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
InChIKeySPLFGEFBTYQRPO-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.48
Rot. Bonds3

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

1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 10518508) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine
PubChem CID10518508
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
InChIKeySPLFGEFBTYQRPO-UHFFFAOYSA-N
XLogP4.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine (CID 10518508) is 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is SPLFGEFBTYQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine?
1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 302.78 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10518508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).