N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C14H18F3N — CID 54507552

IUPACN,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)C1CCCc2ccc(CC(F)(F)F)cc21
InChIInChI=1S/C14H18F3N/c1-18(2)13-5-3-4-11-7-6-10(8-12(11)13)9-14(15,16)17/h6-8,13H,3-5,9H2,1-2H3
InChIKeyDPBCNKDQAMYZKQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.73
Rot. Bonds2

About N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 54507552) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID54507552
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)C1CCCc2ccc(CC(F)(F)F)cc21
InChIInChI=1S/C14H18F3N/c1-18(2)13-5-3-4-11-7-6-10(8-12(11)13)9-14(15,16)17/h6-8,13H,3-5,9H2,1-2H3
InChIKeyDPBCNKDQAMYZKQ-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 54507552) is N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CN(C)C1CCCc2ccc(CC(F)(F)F)cc21.
What is the InChIKey of N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DPBCNKDQAMYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-18(2)13-5-3-4-11-7-6-10(8-12(11)13)9-14(15,16)17/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 54507552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).