1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine

C12H15BrF2N2 — CID 79458131

IUPAC1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C12H15BrF2N2/c13-7-4-10(14)12(11(15)5-7)17-9-3-1-2-8(16)6-9/h4-5,8-9,17H,1-3,6,16H2
InChIKeyKJEQUONJQYSARM-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.41
Rot. Bonds2

About 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine

1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine (PubChem CID 79458131) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine
PubChem CID79458131
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C12H15BrF2N2/c13-7-4-10(14)12(11(15)5-7)17-9-3-1-2-8(16)6-9/h4-5,8-9,17H,1-3,6,16H2
InChIKeyKJEQUONJQYSARM-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
CID 65468689
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
CID 79458952
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
1-N-(3-bromo-5-methoxyphenyl)cyclohexane-1,3-diamine
CID 82858096
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
4-(4-bromo-2,6-difluoroanilino)azepan-2-one
CID 65469359
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
1-N-[4-bromo-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458840
N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 65468321

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine (CID 79458131) is 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2c(F)cc(Br)cc2F)C1.
What is the InChIKey of 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine?
The InChIKey is KJEQUONJQYSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2/c13-7-4-10(14)12(11(15)5-7)17-9-3-1-2-8(16)6-9/h4-5,8-9,17H,1-3,6,16H2.
What are the key properties of 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine?
1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine has a molecular weight of 305.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).