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

C18H19ClFN — CID 65403993

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1CCc2ccccc2C1
InChIInChI=1S/C18H19ClFN/c19-17-11-16(20)8-7-14(17)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,11,15,18H,5-6,9-10,21H2
InChIKeyHIOYGBYBLCWWIP-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.15
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 65403993) 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-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID65403993
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1CCc2ccccc2C1
InChIInChI=1S/C18H19ClFN/c19-17-11-16(20)8-7-14(17)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,11,15,18H,5-6,9-10,21H2
InChIKeyHIOYGBYBLCWWIP-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
2-(3-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404575
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 106868280
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242
1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 91218484
2-(2-chloro-4-fluorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79732033

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (CID 65403993) is 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is NC(Cc1ccc(F)cc1Cl)C1CCc2ccccc2C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is HIOYGBYBLCWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-11-16(20)8-7-14(17)10-18(21)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,7-8,11,15,18H,5-6,9-10,21H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 4.15, 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-2-yl)ethanamine is sourced from PubChem (CID 65403993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).