N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C19H20F3N — CID 25125374

IUPACN,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2c(cccc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N/c1-23(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(11-13)19(20,21)22/h3-8,11,16H,9-10,12H2,1-2H3
InChIKeyWIVVPFJPUGMXGZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.79
Rot. Bonds2

About N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 25125374) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID25125374
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2c(cccc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N/c1-23(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(11-13)19(20,21)22/h3-8,11,16H,9-10,12H2,1-2H3
InChIKeyWIVVPFJPUGMXGZ-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 25125374) is N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1CCc2c(cccc2-c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WIVVPFJPUGMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c1-23(2)16-9-10-18-14(12-16)6-4-8-17(18)13-5-3-7-15(11-13)19(20,21)22/h3-8,11,16H,9-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 319.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 25125374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).