N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine

C18H20F3N — CID 23510495

IUPACN-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine
SMILESCNC(C)c1ccccc1C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N/c1-12(14-7-6-8-15(11-14)18(19,20)21)16-9-4-5-10-17(16)13(2)22-3/h4-13,22H,1-3H3
InChIKeyWNZHABFJJQKFQU-UHFFFAOYSA-N
MW307.36 g/mol
LogP5.14
Rot. Bonds4

About N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine

N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine (PubChem CID 23510495) has the molecular formula C18H20F3N and a molecular weight of 307.36 g/mol. Its IUPAC name is N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine
PubChem CID23510495
Molecular FormulaC18H20F3N
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine
SMILESCNC(C)c1ccccc1C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N/c1-12(14-7-6-8-15(11-14)18(19,20)21)16-9-4-5-10-17(16)13(2)22-3/h4-13,22H,1-3H3
InChIKeyWNZHABFJJQKFQU-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine (CID 23510495) is N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine is CNC(C)c1ccccc1C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine?
The InChIKey is WNZHABFJJQKFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N/c1-12(14-7-6-8-15(11-14)18(19,20)21)16-9-4-5-10-17(16)13(2)22-3/h4-13,22H,1-3H3.
What are the key properties of N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine?
N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine has a molecular weight of 307.36 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanamine is sourced from PubChem (CID 23510495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).