N-(2-bromophenyl)oxan-4-amine;hydrochloride

C11H15BrClNO — CID 146049754

IUPACN-(2-bromophenyl)oxan-4-amine;hydrochloride
SMILESBrc1ccccc1NC1CCOCC1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c12-10-3-1-2-4-11(10)13-9-5-7-14-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyCKJUTHMNZKEXEE-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.46
Rot. Bonds2

About N-(2-bromophenyl)oxan-4-amine;hydrochloride

N-(2-bromophenyl)oxan-4-amine;hydrochloride (PubChem CID 146049754) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is N-(2-bromophenyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)oxan-4-amine;hydrochloride
PubChem CID146049754
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC NameN-(2-bromophenyl)oxan-4-amine;hydrochloride
SMILESBrc1ccccc1NC1CCOCC1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c12-10-3-1-2-4-11(10)13-9-5-7-14-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyCKJUTHMNZKEXEE-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)oxan-4-amine
CID 43608428
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43726415
N-(3-bromo-2-methylphenyl)oxolan-3-amine
CID 115884928
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645
N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
2-bromo-N-(3,3-dimethylcyclopentyl)aniline
CID 80692148
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-(2-pyrazol-1-ylphenyl)oxan-4-amine
CID 43705664

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)oxan-4-amine;hydrochloride?
The IUPAC name of N-(2-bromophenyl)oxan-4-amine;hydrochloride (CID 146049754) is N-(2-bromophenyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)oxan-4-amine;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)oxan-4-amine;hydrochloride is Brc1ccccc1NC1CCOCC1.Cl.
What is the InChIKey of N-(2-bromophenyl)oxan-4-amine;hydrochloride?
The InChIKey is CKJUTHMNZKEXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO.ClH/c12-10-3-1-2-4-11(10)13-9-5-7-14-8-6-9;/h1-4,9,13H,5-8H2;1H.
What are the key properties of N-(2-bromophenyl)oxan-4-amine;hydrochloride?
N-(2-bromophenyl)oxan-4-amine;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 146049754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).