N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine

C16H15BrFN — CID 79710387

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESFc1cc(Br)cc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H15BrFN/c17-14-6-11(7-15(18)9-14)10-19-16-5-4-12-2-1-3-13(12)8-16/h4-9,19H,1-3,10H2
InChIKeyNPMSWIPLWFFFKA-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.69
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 79710387) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID79710387
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESFc1cc(Br)cc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H15BrFN/c17-14-6-11(7-15(18)9-14)10-19-16-5-4-12-2-1-3-13(12)8-16/h4-9,19H,1-3,10H2
InChIKeyNPMSWIPLWFFFKA-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-4-fluoroaniline
CID 104777545
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-3-chloroaniline
CID 107619978
4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
CID 82132113
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79669951
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-[(3-bromo-5-fluorophenyl)methyl]-4-propylaniline
CID 79710238
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
1-N-[(3-bromo-5-fluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378231
[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105324817
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 79710387) is N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine is Fc1cc(Br)cc(CNc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is NPMSWIPLWFFFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-6-11(7-15(18)9-14)10-19-16-5-4-12-2-1-3-13(12)8-16/h4-9,19H,1-3,10H2.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 320.21 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79710387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).