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

C14H19BrN2 — CID 12832203

IUPAC8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2/c15-11-3-1-10(2-4-11)9-17-13-5-6-14(17)8-12(16)7-13/h1-4,12-14H,5-9,16H2
InChIKeyWMYLZQVQSGJPQZ-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.90
Rot. Bonds2

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

8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 12832203) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID12832203
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2/c15-11-3-1-10(2-4-11)9-17-13-5-6-14(17)8-12(16)7-13/h1-4,12-14H,5-9,16H2
InChIKeyWMYLZQVQSGJPQZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 55106469
8-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81436346
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
8-[(5-bromothiophen-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234821
8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
4-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 55106666
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363

Frequently Asked Questions

What is the IUPAC name of 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 12832203) is 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1ccc(Br)cc1.
What is the InChIKey of 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WMYLZQVQSGJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-11-3-1-10(2-4-11)9-17-13-5-6-14(17)8-12(16)7-13/h1-4,12-14H,5-9,16H2.
What are the key properties of 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 295.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 12832203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).