2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline

C18H18F3NO — CID 23087188

IUPAC2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
SMILESCOc1ccc2c(c1)CCC(c1ccc(C(F)(F)F)cc1N)C2
InChIInChI=1S/C18H18F3NO/c1-23-15-6-4-11-8-13(3-2-12(11)9-15)16-7-5-14(10-17(16)22)18(19,20)21/h4-7,9-10,13H,2-3,8,22H2,1H3
InChIKeyYEDCKEIXPSWWGA-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.57
Rot. Bonds2

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 23087188) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
PubChem CID23087188
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
SMILESCOc1ccc2c(c1)CCC(c1ccc(C(F)(F)F)cc1N)C2
InChIInChI=1S/C18H18F3NO/c1-23-15-6-4-11-8-13(3-2-12(11)9-15)16-7-5-14(10-17(16)22)18(19,20)21/h4-7,9-10,13H,2-3,8,22H2,1H3
InChIKeyYEDCKEIXPSWWGA-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline (CID 23087188) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline is COc1ccc2c(c1)CCC(c1ccc(C(F)(F)F)cc1N)C2.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is YEDCKEIXPSWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-23-15-6-4-11-8-13(3-2-12(11)9-15)16-7-5-14(10-17(16)22)18(19,20)21/h4-7,9-10,13H,2-3,8,22H2,1H3.
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline?
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 321.34 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 23087188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).