1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride

C18H17Cl2F3N2 — CID 118588958

IUPAC1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1-c1cc2cc(C(F)(F)F)[nH]c2cc1Cl.Cl
InChIInChI=1S/C18H16ClF3N2.ClH/c1-24(2)10-11-5-3-4-6-13(11)14-7-12-8-17(18(20,21)22)23-16(12)9-15(14)19;/h3-9,23H,10H2,1-2H3;1H
InChIKeyLPYCPUPEYWZEQZ-UHFFFAOYSA-N
MW389.25 g/mol
LogP5.99
Rot. Bonds3

About 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 118588958) has the molecular formula C18H17Cl2F3N2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID118588958
Molecular FormulaC18H17Cl2F3N2
Molecular Weight389.25 g/mol
Exact Mass388.07
IUPAC Name1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1-c1cc2cc(C(F)(F)F)[nH]c2cc1Cl.Cl
InChIInChI=1S/C18H16ClF3N2.ClH/c1-24(2)10-11-5-3-4-6-13(11)14-7-12-8-17(18(20,21)22)23-16(12)9-15(14)19;/h3-9,23H,10H2,1-2H3;1H
InChIKeyLPYCPUPEYWZEQZ-UHFFFAOYSA-N
XLogP5.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.25
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride (CID 118588958) is 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1ccccc1-c1cc2cc(C(F)(F)F)[nH]c2cc1Cl.Cl.
What is the InChIKey of 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is LPYCPUPEYWZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2.ClH/c1-24(2)10-11-5-3-4-6-13(11)14-7-12-8-17(18(20,21)22)23-16(12)9-15(14)19;/h3-9,23H,10H2,1-2H3;1H.
What are the key properties of 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 389.25 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-chloro-2-(trifluoromethyl)-1H-indol-5-yl]phenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 118588958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).