(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H21ClF3N — CID 118729243

IUPAC(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
InChIKeyHWFFVVLUGHDJCD-AKXYIILFSA-N
MW355.83 g/mol
LogP5.14
Rot. Bonds2

About (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 118729243) has the molecular formula C19H21ClF3N and a molecular weight of 355.83 g/mol. Its IUPAC name is (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID118729243
Molecular FormulaC19H21ClF3N
Molecular Weight355.83 g/mol
Exact Mass355.13
IUPAC Name(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
InChIKeyHWFFVVLUGHDJCD-AKXYIILFSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 118729243) is (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(C(F)(F)F)cc2)C1.Cl.
What is the InChIKey of (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is HWFFVVLUGHDJCD-AKXYIILFSA-N. The full InChI is InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1.
What are the key properties of (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 118729243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).