N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H15Cl2N — CID 65470081

IUPACN-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESClc1cccc(Cl)c1NC1CCCc2ccccc21
InChIInChI=1S/C16H15Cl2N/c17-13-8-4-9-14(18)16(13)19-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-9,15,19H,3,6,10H2
InChIKeyYUCIOPJZLBEVIW-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.48
Rot. Bonds2

About N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65470081) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65470081
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC NameN-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESClc1cccc(Cl)c1NC1CCCc2ccccc21
InChIInChI=1S/C16H15Cl2N/c17-13-8-4-9-14(18)16(13)19-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-9,15,19H,3,6,10H2
InChIKeyYUCIOPJZLBEVIW-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65470081) is N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is Clc1cccc(Cl)c1NC1CCCc2ccccc21.
What is the InChIKey of N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YUCIOPJZLBEVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-13-8-4-9-14(18)16(13)19-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-9,15,19H,3,6,10H2.
What are the key properties of N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 292.21 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65470081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).