[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine

C17H17BrFN — CID 65407326

IUPAC[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2ccc(F)c(Br)c2)CCc2ccccc21
InChIInChI=1S/C17H17BrFN/c18-15-9-12(5-6-16(15)19)10-17(11-20)8-7-13-3-1-2-4-14(13)17/h1-6,9H,7-8,10-11,20H2
InChIKeyWJCVYMHGYPRXLN-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.97
Rot. Bonds3

About [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine

[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine (PubChem CID 65407326) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
PubChem CID65407326
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2ccc(F)c(Br)c2)CCc2ccccc21
InChIInChI=1S/C17H17BrFN/c18-15-9-12(5-6-16(15)19)10-17(11-20)8-7-13-3-1-2-4-14(13)17/h1-6,9H,7-8,10-11,20H2
InChIKeyWJCVYMHGYPRXLN-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine (CID 65407326) is [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine is NCC1(Cc2ccc(F)c(Br)c2)CCc2ccccc21.
What is the InChIKey of [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is WJCVYMHGYPRXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-15-9-12(5-6-16(15)19)10-17(11-20)8-7-13-3-1-2-4-14(13)17/h1-6,9H,7-8,10-11,20H2.
What are the key properties of [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 334.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 65407326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).