N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine

C16H20BrF2N — CID 114817235

IUPACN-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine
SMILESFc1cc(F)c(NC2CCC3(CCCC3)CC2)c(Br)c1
InChIInChI=1S/C16H20BrF2N/c17-13-9-11(18)10-14(19)15(13)20-12-3-7-16(8-4-12)5-1-2-6-16/h9-10,12,20H,1-8H2
InChIKeyBTYPIGAIPZXINU-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.64
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine

N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine (PubChem CID 114817235) has the molecular formula C16H20BrF2N and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine
PubChem CID114817235
Molecular FormulaC16H20BrF2N
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC NameN-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine
SMILESFc1cc(F)c(NC2CCC3(CCCC3)CC2)c(Br)c1
InChIInChI=1S/C16H20BrF2N/c17-13-9-11(18)10-14(19)15(13)20-12-3-7-16(8-4-12)5-1-2-6-16/h9-10,12,20H,1-8H2
InChIKeyBTYPIGAIPZXINU-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline
CID 43168287
N-(2,6-dibromophenyl)spiro[4.5]decan-8-amine
CID 107597638
N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine
CID 43347704
N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
CID 65089523
2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447963
1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
CID 65211096
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509
3-(2-bromo-4,6-difluoroanilino)azepan-2-one
CID 43168313
tert-butyl N-[3-(2-bromo-4,6-difluoroanilino)cyclohexyl]carbamate
CID 113247870
2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline
CID 43635249
1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
CID 43168327
2-bromo-4,6-difluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635256

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine (CID 114817235) is N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine is Fc1cc(F)c(NC2CCC3(CCCC3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine?
The InChIKey is BTYPIGAIPZXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrF2N/c17-13-9-11(18)10-14(19)15(13)20-12-3-7-16(8-4-12)5-1-2-6-16/h9-10,12,20H,1-8H2.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine?
N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine has a molecular weight of 344.24 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).