2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C18H19ClFN — CID 63418327

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1CCCc2ccccc21
InChIInChI=1S/C18H19ClFN/c19-17-11-14(20)9-8-13(17)10-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,11,16,18H,3,5,7,10,21H2
InChIKeyPGANMCCVINHMMM-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.47
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 63418327) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID63418327
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1CCCc2ccccc21
InChIInChI=1S/C18H19ClFN/c19-17-11-14(20)9-8-13(17)10-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,11,16,18H,3,5,7,10,21H2
InChIKeyPGANMCCVINHMMM-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 63418327) is 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NC(Cc1ccc(F)cc1Cl)C1CCCc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is PGANMCCVINHMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-11-14(20)9-8-13(17)10-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,11,16,18H,3,5,7,10,21H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 63418327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).