1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine

C17H15ClF2N2 — CID 110453661

IUPAC1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1c(F)cccc1Cl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H15ClF2N2/c1-22(2)17(16-13(18)4-3-5-14(16)20)12-9-21-15-7-6-10(19)8-11(12)15/h3-9,17,21H,1-2H3
InChIKeyDDHGRMDIICTKAZ-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.75
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine

1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 110453661) has the molecular formula C17H15ClF2N2 and a molecular weight of 320.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID110453661
Molecular FormulaC17H15ClF2N2
Molecular Weight320.77 g/mol
Exact Mass320.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1c(F)cccc1Cl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H15ClF2N2/c1-22(2)17(16-13(18)4-3-5-14(16)20)12-9-21-15-7-6-10(19)8-11(12)15/h3-9,17,21H,1-2H3
InChIKeyDDHGRMDIICTKAZ-UHFFFAOYSA-N
XLogP4.75
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine (CID 110453661) is 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine is CN(C)C(c1c(F)cccc1Cl)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is DDHGRMDIICTKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2/c1-22(2)17(16-13(18)4-3-5-14(16)20)12-9-21-15-7-6-10(19)8-11(12)15/h3-9,17,21H,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 320.77 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 110453661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).