2-(2,4,6-tribromoanilino)cycloheptan-1-ol

C13H16Br3NO — CID 63489385

IUPAC2-(2,4,6-tribromoanilino)cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H16Br3NO/c14-8-6-9(15)13(10(16)7-8)17-11-4-2-1-3-5-12(11)18/h6-7,11-12,17-18H,1-5H2
InChIKeyHKRXOSAVAMHEKC-UHFFFAOYSA-N
MW441.99 g/mol
LogP5.08
Rot. Bonds2

About 2-(2,4,6-tribromoanilino)cycloheptan-1-ol

2-(2,4,6-tribromoanilino)cycloheptan-1-ol (PubChem CID 63489385) has the molecular formula C13H16Br3NO and a molecular weight of 441.99 g/mol. Its IUPAC name is 2-(2,4,6-tribromoanilino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2,4,6-tribromoanilino)cycloheptan-1-ol
PubChem CID63489385
Molecular FormulaC13H16Br3NO
Molecular Weight441.99 g/mol
Exact Mass438.88
IUPAC Name2-(2,4,6-tribromoanilino)cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H16Br3NO/c14-8-6-9(15)13(10(16)7-8)17-11-4-2-1-3-5-12(11)18/h6-7,11-12,17-18H,1-5H2
InChIKeyHKRXOSAVAMHEKC-UHFFFAOYSA-N
XLogP5.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.99
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
CID 102733064
2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
CID 63489177
trans-(1R,2R)-2-(4-bromo-2,6-difluoroanilino)cyclohexan-1-ol
CID 102731340
2,4,6-tribromo-N-(2-tert-butylcyclohexyl)aniline
CID 63425295
2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
CID 104531921
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
CID 103412767
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
methyl 3,5-dibromo-2-(cyclooctylamino)benzoate
CID 63451936
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-tribromoanilino)cycloheptan-1-ol?
The IUPAC name of 2-(2,4,6-tribromoanilino)cycloheptan-1-ol (CID 63489385) is 2-(2,4,6-tribromoanilino)cycloheptan-1-ol.
What is the SMILES notation for 2-(2,4,6-tribromoanilino)cycloheptan-1-ol?
The canonical SMILES for 2-(2,4,6-tribromoanilino)cycloheptan-1-ol is OC1CCCCCC1Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-(2,4,6-tribromoanilino)cycloheptan-1-ol?
The InChIKey is HKRXOSAVAMHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO/c14-8-6-9(15)13(10(16)7-8)17-11-4-2-1-3-5-12(11)18/h6-7,11-12,17-18H,1-5H2.
What are the key properties of 2-(2,4,6-tribromoanilino)cycloheptan-1-ol?
2-(2,4,6-tribromoanilino)cycloheptan-1-ol has a molecular weight of 441.99 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-tribromoanilino)cycloheptan-1-ol is sourced from PubChem (CID 63489385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).