5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine

C16H14BrF2N — CID 176624219

IUPAC5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(CNC2Cc3ccc(Br)cc3C2)cc1F
InChIInChI=1S/C16H14BrF2N/c17-13-3-2-11-7-14(8-12(11)6-13)20-9-10-1-4-15(18)16(19)5-10/h1-6,14,20H,7-9H2
InChIKeyZRKGDOYPYNQEHU-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine

5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 176624219) has the molecular formula C16H14BrF2N and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID176624219
Molecular FormulaC16H14BrF2N
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(CNC2Cc3ccc(Br)cc3C2)cc1F
InChIInChI=1S/C16H14BrF2N/c17-13-3-2-11-7-14(8-12(11)6-13)20-9-10-1-4-15(18)16(19)5-10/h1-6,14,20H,7-9H2
InChIKeyZRKGDOYPYNQEHU-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.98
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
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273
(S)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10776652
7-Bromo-3-difluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 11500379
trans-(1S,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145981420
N-(4-bromobenzyl)-N-[2-(4-fluorophenyl)ethyl]amine
CID 1825359
N-(4-bromobenzyl)-N-[2-(2-methylphenyl)ethyl]amine
CID 1825357
6-Bromo-2,3-dihydro-1H-inden-1-amine
CID 16244315
(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 57355775
(1R)-6-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 91828043

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 176624219) is 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is Fc1ccc(CNC2Cc3ccc(Br)cc3C2)cc1F.
What is the InChIKey of 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZRKGDOYPYNQEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2N/c17-13-3-2-11-7-14(8-12(11)6-13)20-9-10-1-4-15(18)16(19)5-10/h1-6,14,20H,7-9H2.
What are the key properties of 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 338.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 176624219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).