1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C18H19Cl2N — CID 63411485

IUPAC1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(N)(c1ccc2c(c1)CCCC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2N/c1-18(21,15-7-4-8-16(19)17(15)20)14-10-9-12-5-2-3-6-13(12)11-14/h4,7-11H,2-3,5-6,21H2,1H3
InChIKeyGNPSHQKLCCIVAA-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.09
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 63411485) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID63411485
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(N)(c1ccc2c(c1)CCCC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl2N/c1-18(21,15-7-4-8-16(19)17(15)20)14-10-9-12-5-2-3-6-13(12)11-14/h4,7-11H,2-3,5-6,21H2,1H3
InChIKeyGNPSHQKLCCIVAA-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 63411485) is 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CC(N)(c1ccc2c(c1)CCCC2)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is GNPSHQKLCCIVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-18(21,15-7-4-8-16(19)17(15)20)14-10-9-12-5-2-3-6-13(12)11-14/h4,7-11H,2-3,5-6,21H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 320.26 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 63411485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).