8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H18BrFN2 — CID 81436346

IUPAC8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccc(Br)c(F)c1
InChIInChI=1S/C14H18BrFN2/c15-13-4-1-9(5-14(13)16)8-18-11-2-3-12(18)7-10(17)6-11/h1,4-5,10-12H,2-3,6-8,17H2
InChIKeyOBTHLYOOHCNQMW-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.04
Rot. Bonds2

About 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 81436346) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID81436346
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccc(Br)c(F)c1
InChIInChI=1S/C14H18BrFN2/c15-13-4-1-9(5-14(13)16)8-18-11-2-3-12(18)7-10(17)6-11/h1,4-5,10-12H,2-3,6-8,17H2
InChIKeyOBTHLYOOHCNQMW-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)methyl]piperazine
CID 876494
2-(4-Bromophenyl)pyrrolidine
CID 4281494
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 43221362
8-Benzyl-8-azabicyclo[3.2.1]octan-3-exo-amine
CID 11031267
1-[(4-Bromophenyl)methyl]piperidin-4-amine
CID 23312456
N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166630652
N-(3-bromo-4-fluorobenzyl)-N,1-dimethyl-4-piperidinamine
CID 2838199
1-(4-Bromo-2-fluorobenzyl)homopiperazine
CID 2779430
1-(4-Bromo-2-fluorobenzyl)piperazine
CID 2782804
8-Benzyl-8-azabicyclo(3.2.1)octan-3-amine
CID 12832103
2-(4-Bromophenyl)piperazine
CID 21838686
2-(4-Bromo-3-fluorophenyl)pyrrolidine
CID 53403624

Frequently Asked Questions

What is the IUPAC name of 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 81436346) is 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1ccc(Br)c(F)c1.
What is the InChIKey of 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OBTHLYOOHCNQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-13-4-1-9(5-14(13)16)8-18-11-2-3-12(18)7-10(17)6-11/h1,4-5,10-12H,2-3,6-8,17H2.
What are the key properties of 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 313.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 81436346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).