(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H19Cl2N — CID 13408774

IUPAC(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3/t13-,18-/m1/s1
InChIKeyLTKRQOGLVNJKBK-FZKQIMNGSA-N
MW320.26 g/mol
LogP5.52
Rot. Bonds2

About (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 13408774) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID13408774
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3/t13-,18-/m1/s1
InChIKeyLTKRQOGLVNJKBK-FZKQIMNGSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 13408774) is (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN(C)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LTKRQOGLVNJKBK-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 320.26 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 13408774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).