2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H19BrFN — CID 63399921

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1ccc(Br)cc1F
InChIInChI=1S/C18H19BrFN/c1-21-18-14(7-6-12-4-2-3-5-16(12)18)10-13-8-9-15(19)11-17(13)20/h2-5,8-9,11,14,18,21H,6-7,10H2,1H3
InChIKeyXFGWPDOUNQUPDG-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.65
Rot. Bonds3

About 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63399921) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63399921
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1ccc(Br)cc1F
InChIInChI=1S/C18H19BrFN/c1-21-18-14(7-6-12-4-2-3-5-16(12)18)10-13-8-9-15(19)11-17(13)20/h2-5,8-9,11,14,18,21H,6-7,10H2,1H3
InChIKeyXFGWPDOUNQUPDG-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63399921) is 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XFGWPDOUNQUPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-21-18-14(7-6-12-4-2-3-5-16(12)18)10-13-8-9-15(19)11-17(13)20/h2-5,8-9,11,14,18,21H,6-7,10H2,1H3.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 348.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63399921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).