2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol

C14H19Br2NO2 — CID 103412767

IUPAC2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
SMILESCOc1cc(NC2CCCCCC2O)c(Br)cc1Br
InChIInChI=1S/C14H19Br2NO2/c1-19-14-8-12(9(15)7-10(14)16)17-11-5-3-2-4-6-13(11)18/h7-8,11,13,17-18H,2-6H2,1H3
InChIKeyRWCOQMGLINQIQR-UHFFFAOYSA-N
MW393.12 g/mol
LogP4.33
Rot. Bonds3

About 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol

2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol (PubChem CID 103412767) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
PubChem CID103412767
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC Name2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
SMILESCOc1cc(NC2CCCCCC2O)c(Br)cc1Br
InChIInChI=1S/C14H19Br2NO2/c1-19-14-8-12(9(15)7-10(14)16)17-11-5-3-2-4-6-13(11)18/h7-8,11,13,17-18H,2-6H2,1H3
InChIKeyRWCOQMGLINQIQR-UHFFFAOYSA-N
XLogP4.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 103412212
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019
4-(2,4-dibromo-5-methoxyanilino)-1,1-dioxothiolan-3-ol
CID 103413334
2-(3,4,5-trimethoxyanilino)cycloheptan-1-ol
CID 60898810
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
trans-(1R,2R)-2-(3,4,5-trimethoxyanilino)cyclohexan-1-ol
CID 102730861
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035
N-(2,4-dibromo-5-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 103411345
trans-(1R,2R)-2-(3-bromo-2-methylanilino)cyclohexan-1-ol
CID 107633800
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
2-(2,4,6-tribromoanilino)cycloheptan-1-ol
CID 63489385
N-(2,4-dibromo-5-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103411779

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol?
The IUPAC name of 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol (CID 103412767) is 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol.
What is the SMILES notation for 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol?
The canonical SMILES for 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol is COc1cc(NC2CCCCCC2O)c(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol?
The InChIKey is RWCOQMGLINQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c1-19-14-8-12(9(15)7-10(14)16)17-11-5-3-2-4-6-13(11)18/h7-8,11,13,17-18H,2-6H2,1H3.
What are the key properties of 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol?
2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol has a molecular weight of 393.12 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol is sourced from PubChem (CID 103412767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).