N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H18F3N — CID 13408716

IUPACN-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCC(c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H18F3N/c1-22-17-11-10-14(15-4-2-3-5-16(15)17)12-6-8-13(9-7-12)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3
InChIKeyLUOOAAZGJZAWFG-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.89
Rot. Bonds2

About N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 13408716) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID13408716
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC NameN-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCC(c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H18F3N/c1-22-17-11-10-14(15-4-2-3-5-16(15)17)12-6-8-13(9-7-12)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3
InChIKeyLUOOAAZGJZAWFG-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 13408716) is N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCC(c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LUOOAAZGJZAWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-22-17-11-10-14(15-4-2-3-5-16(15)17)12-6-8-13(9-7-12)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3.
What are the key properties of N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.34 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 13408716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).