7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H16F3N — CID 82541502

IUPAC7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2ccc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H16F3N/c18-17(19,20)14-5-1-4-12(9-14)13-8-7-11-3-2-6-16(21)15(11)10-13/h1,4-5,7-10,16H,2-3,6,21H2
InChIKeyPTVSZGKVGPUQGC-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.71
Rot. Bonds1

About 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82541502) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82541502
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2ccc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H16F3N/c18-17(19,20)14-5-1-4-12(9-14)13-8-7-11-3-2-6-16(21)15(11)10-13/h1,4-5,7-10,16H,2-3,6,21H2
InChIKeyPTVSZGKVGPUQGC-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265478
N,N-dimethyl-6-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25125378
(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 118084320
8-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174866199
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66258441
(1R,5S)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]bicyclo[3.2.1]octane-2,4-dione
CID 90722662
2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117128435
5-methyl-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117155802
[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 14114278

Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82541502) is 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2ccc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PTVSZGKVGPUQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)14-5-1-4-12(9-14)13-8-7-11-3-2-6-16(21)15(11)10-13/h1,4-5,7-10,16H,2-3,6,21H2.
What are the key properties of 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.32 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82541502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).