N-(5-bromo-2-chlorophenyl)oxepan-4-amine

C12H15BrClNO — CID 65079704

IUPACN-(5-bromo-2-chlorophenyl)oxepan-4-amine
SMILESClc1ccc(Br)cc1NC1CCCOCC1
InChIInChI=1S/C12H15BrClNO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyYOEMRZXTQZJQPP-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.08
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)oxepan-4-amine

N-(5-bromo-2-chlorophenyl)oxepan-4-amine (PubChem CID 65079704) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)oxepan-4-amine
PubChem CID65079704
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(5-bromo-2-chlorophenyl)oxepan-4-amine
SMILESClc1ccc(Br)cc1NC1CCCOCC1
InChIInChI=1S/C12H15BrClNO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyYOEMRZXTQZJQPP-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-(5-bromo-2-chlorophenyl)thian-3-amine
CID 62913384
N-(5-bromo-2-nitrosophenyl)oxan-4-amine
CID 170276803
N-(5-bromo-2-chlorophenyl)thietan-3-amine
CID 130870688
N-(2,4,6-tribromophenyl)oxepan-4-amine
CID 65076459
5-bromo-2-chloro-N-(oxan-3-ylmethyl)aniline
CID 63740223
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)oxepan-4-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)oxepan-4-amine (CID 65079704) is N-(5-bromo-2-chlorophenyl)oxepan-4-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)oxepan-4-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)oxepan-4-amine is Clc1ccc(Br)cc1NC1CCCOCC1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)oxepan-4-amine?
The InChIKey is YOEMRZXTQZJQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of N-(5-bromo-2-chlorophenyl)oxepan-4-amine?
N-(5-bromo-2-chlorophenyl)oxepan-4-amine has a molecular weight of 304.62 g/mol, XLogP of 4.08, 2 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)oxepan-4-amine is sourced from PubChem (CID 65079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).