N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C18H27BrN2 — CID 61230921

IUPACN-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(c1ccc(Br)cc1)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C18H27BrN2/c1-3-18(13-5-7-14(19)8-6-13)21(4-2)17-11-15-9-10-16(12-17)20-15/h5-8,15-18,20H,3-4,9-12H2,1-2H3
InChIKeyLJXTXIRCUDPXBB-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.51
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230921) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230921
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(c1ccc(Br)cc1)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C18H27BrN2/c1-3-18(13-5-7-14(19)8-6-13)21(4-2)17-11-15-9-10-16(12-17)20-15/h5-8,15-18,20H,3-4,9-12H2,1-2H3
InChIKeyLJXTXIRCUDPXBB-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232068
N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231048
N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231866
N-ethyl-N-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232830
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230545
N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61230349
N-(1-cyclopropylpropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113490124
4-[1-[ethyl(piperidin-3-yl)amino]propyl]phenol
CID 63643806
N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836447
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide
CID 61230425

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61230921) is N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCC(c1ccc(Br)cc1)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LJXTXIRCUDPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-3-18(13-5-7-14(19)8-6-13)21(4-2)17-11-15-9-10-16(12-17)20-15/h5-8,15-18,20H,3-4,9-12H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 351.33 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).