N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine

C17H18F3NO — CID 44568692

IUPACN,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine
SMILESCN(C)Cc1ccccc1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-21(2)12-15-6-4-3-5-14(15)11-13-7-9-16(10-8-13)22-17(18,19)20/h3-10H,11-12H2,1-2H3
InChIKeyKEIRXXIACQJSMU-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.24
Rot. Bonds5

About N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine

N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine (PubChem CID 44568692) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine
PubChem CID44568692
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC NameN,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine
SMILESCN(C)Cc1ccccc1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO/c1-21(2)12-15-6-4-3-5-14(15)11-13-7-9-16(10-8-13)22-17(18,19)20/h3-10H,11-12H2,1-2H3
InChIKeyKEIRXXIACQJSMU-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine (CID 44568692) is N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine is CN(C)Cc1ccccc1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine?
The InChIKey is KEIRXXIACQJSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-21(2)12-15-6-4-3-5-14(15)11-13-7-9-16(10-8-13)22-17(18,19)20/h3-10H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine?
N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine has a molecular weight of 309.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]methanamine is sourced from PubChem (CID 44568692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).