N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H21BrN2 — CID 114985358

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESC[C@@H](NC1CCN2CCC1C2)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2/c1-11(12-2-4-14(16)5-3-12)17-15-7-9-18-8-6-13(15)10-18/h2-5,11,13,15,17H,6-10H2,1H3/t11-,13?,15?/m1/s1
InChIKeyTVTWNEFNHAMMPB-NUYPLMSZSA-N
MW309.25 g/mol
LogP3.19
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 114985358) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID114985358
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESC[C@@H](NC1CCN2CCC1C2)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2/c1-11(12-2-4-14(16)5-3-12)17-15-7-9-18-8-6-13(15)10-18/h2-5,11,13,15,17H,6-10H2,1H3/t11-,13?,15?/m1/s1
InChIKeyTVTWNEFNHAMMPB-NUYPLMSZSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
N-[1-(4-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195066
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82774176
N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364634
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364151
N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364541

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 114985358) is N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is C[C@@H](NC1CCN2CCC1C2)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is TVTWNEFNHAMMPB-NUYPLMSZSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11(12-2-4-14(16)5-3-12)17-15-7-9-18-8-6-13(15)10-18/h2-5,11,13,15,17H,6-10H2,1H3/t11-,13?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 309.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 114985358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).