2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine

C17H17BrFN — CID 65412077

IUPAC2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
SMILESNC(Cc1ccc(F)c(Br)c1)C1Cc2ccccc2C1
InChIInChI=1S/C17H17BrFN/c18-15-7-11(5-6-16(15)19)8-17(20)14-9-12-3-1-2-4-13(12)10-14/h1-7,14,17H,8-10,20H2
InChIKeyMWMKVKGJBPECQR-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.87
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine (PubChem CID 65412077) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
PubChem CID65412077
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
SMILESNC(Cc1ccc(F)c(Br)c1)C1Cc2ccccc2C1
InChIInChI=1S/C17H17BrFN/c18-15-7-11(5-6-16(15)19)8-17(20)14-9-12-3-1-2-4-13(12)10-14/h1-7,14,17H,8-10,20H2
InChIKeyMWMKVKGJBPECQR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
2-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105111247
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 64986319
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 65352808
4-[2-amino-2-(2,3-dihydro-1H-inden-2-yl)ethyl]pyridin-2-amine
CID 65411686
2-(3-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404575
2-(3-bromo-4-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963811
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106942637
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103040066
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine (CID 65412077) is 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine is NC(Cc1ccc(F)c(Br)c1)C1Cc2ccccc2C1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
The InChIKey is MWMKVKGJBPECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-15-7-11(5-6-16(15)19)8-17(20)14-9-12-3-1-2-4-13(12)10-14/h1-7,14,17H,8-10,20H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine has a molecular weight of 334.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine is sourced from PubChem (CID 65412077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).