1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine

C14H19ClF3N3 — CID 62967711

IUPAC1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3N3/c1-19-9-11-12(15)3-2-4-13(11)21-7-5-20(6-8-21)10-14(16,17)18/h2-4,19H,5-10H2,1H3
InChIKeyCQMFBBRTBXBWRZ-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.74
Rot. Bonds4

About 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine

1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine (PubChem CID 62967711) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
PubChem CID62967711
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3N3/c1-19-9-11-12(15)3-2-4-13(11)21-7-5-20(6-8-21)10-14(16,17)18/h2-4,19H,5-10H2,1H3
InChIKeyCQMFBBRTBXBWRZ-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine (CID 62967711) is 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine?
The InChIKey is CQMFBBRTBXBWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3/c1-19-9-11-12(15)3-2-4-13(11)21-7-5-20(6-8-21)10-14(16,17)18/h2-4,19H,5-10H2,1H3.
What are the key properties of 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine has a molecular weight of 321.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62967711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).