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

C18H19Cl2N — CID 53319478

IUPAC(2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1
InChIKeyDVCQRBZBVYAGNZ-ZBFHGGJFSA-N
MW320.26 g/mol
LogP5.00
Rot. Bonds2

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

(2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 53319478) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID53319478
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name(2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1
InChIKeyDVCQRBZBVYAGNZ-ZBFHGGJFSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 53319478) is (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is DVCQRBZBVYAGNZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 320.26 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 53319478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).