9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H27BrN2 — CID 62712363

IUPAC9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2Cc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2/c1-2-10-20-16-11-17-4-3-5-18(12-16)21(17)13-14-6-8-15(19)9-7-14/h6-9,16-18,20H,2-5,10-13H2,1H3
InChIKeyZSWXGENTTCWSIH-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.33
Rot. Bonds5

About 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712363) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712363
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2Cc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2/c1-2-10-20-16-11-17-4-3-5-18(12-16)21(17)13-14-6-8-15(19)9-7-14/h6-9,16-18,20H,2-5,10-13H2,1H3
InChIKeyZSWXGENTTCWSIH-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81173487
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302597
9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712587

Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712363) is 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2Cc1ccc(Br)cc1.
What is the InChIKey of 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZSWXGENTTCWSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-2-10-20-16-11-17-4-3-5-18(12-16)21(17)13-14-6-8-15(19)9-7-14/h6-9,16-18,20H,2-5,10-13H2,1H3.
What are the key properties of 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 351.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).