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

C16H15BrFN — CID 43652123

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Br)c(CNC2CCc3ccccc32)c1
InChIInChI=1S/C16H15BrFN/c17-15-7-6-13(18)9-12(15)10-19-16-8-5-11-3-1-2-4-14(11)16/h1-4,6-7,9,16,19H,5,8,10H2
InChIKeyHFOJQHKBBFLTML-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.37
Rot. Bonds3

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

N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43652123) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43652123
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Br)c(CNC2CCc3ccccc32)c1
InChIInChI=1S/C16H15BrFN/c17-15-7-6-13(18)9-12(15)10-19-16-8-5-11-3-1-2-4-14(11)16/h1-4,6-7,9,16,19H,5,8,10H2
InChIKeyHFOJQHKBBFLTML-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260295
4-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 50988684
(R)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 53485127
7-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 127264661
2,3-Dihydro-N-benzyl-1H-inden-1-amine
CID 10130724
(1R)-N-benzyl-6-fluoro-indan-1-amine
CID 145999563
(1S)-N-benzyl-6-fluoro-indan-1-amine
CID 145999564
7-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 105502106
4-bromo-2,2-difluoro-2,3-dihydro-1H-inden-1-amine
CID 139022647
(1R,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
CID 101510395
(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
CID 135061263
1-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43085128

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43652123) is N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Fc1ccc(Br)c(CNC2CCc3ccccc32)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HFOJQHKBBFLTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-15-7-6-13(18)9-12(15)10-19-16-8-5-11-3-1-2-4-14(11)16/h1-4,6-7,9,16,19H,5,8,10H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.21 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43652123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).