N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H21BrN2O — CID 105364448

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOCc1c(Br)cccc1NC1CCN2CCC1C2
InChIInChI=1S/C15H21BrN2O/c1-19-10-12-13(16)3-2-4-15(12)17-14-6-8-18-7-5-11(14)9-18/h2-4,11,14,17H,5-10H2,1H3
InChIKeyPXITYLSBZUIHEF-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.10
Rot. Bonds4

About N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364448) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364448
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOCc1c(Br)cccc1NC1CCN2CCC1C2
InChIInChI=1S/C15H21BrN2O/c1-19-10-12-13(16)3-2-4-15(12)17-14-6-8-18-7-5-11(14)9-18/h2-4,11,14,17H,5-10H2,1H3
InChIKeyPXITYLSBZUIHEF-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
N-[3-bromo-2-(methoxymethyl)phenyl]adamantan-2-amine
CID 63452783
3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
CID 64624414
N-[3-bromo-2-(methoxymethyl)phenyl]-1-oxothian-4-amine
CID 54981971
N-(2-propylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363993
N-[3-bromo-2-(methoxymethyl)phenyl]azepan-4-amine
CID 103981751
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658673
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylbenzoic acid
CID 105364227
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-(methoxymethyl)aniline
CID 79969747
N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63452223

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364448) is N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine is COCc1c(Br)cccc1NC1CCN2CCC1C2.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is PXITYLSBZUIHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-19-10-12-13(16)3-2-4-15(12)17-14-6-8-18-7-5-11(14)9-18/h2-4,11,14,17H,5-10H2,1H3.
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 325.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).