N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine

C12H15BrClNO — CID 115732123

IUPACN-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
SMILESClc1ccc(Br)cc1CNC1CCOCC1
InChIInChI=1S/C12H15BrClNO/c13-10-1-2-12(14)9(7-10)8-15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyDHHMEHVJTJUNMI-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.37
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine

N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine (PubChem CID 115732123) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
PubChem CID115732123
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
SMILESClc1ccc(Br)cc1CNC1CCOCC1
InChIInChI=1S/C12H15BrClNO/c13-10-1-2-12(14)9(7-10)8-15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyDHHMEHVJTJUNMI-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
N-[(4-bromo-2-nitrophenyl)methyl]oxan-4-amine
CID 114381098
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(5-bromo-2-chlorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103793219
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine (CID 115732123) is N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine is Clc1ccc(Br)cc1CNC1CCOCC1.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine?
The InChIKey is DHHMEHVJTJUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-10-1-2-12(14)9(7-10)8-15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6,8H2.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine?
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine has a molecular weight of 304.62 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 115732123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).