2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol

C16H21Br2NO — CID 154272183

IUPAC2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol
SMILESOc1c(Br)cc(CN(C2CCCCC2)C2CC2)cc1Br
InChIInChI=1S/C16H21Br2NO/c17-14-8-11(9-15(18)16(14)20)10-19(13-6-7-13)12-4-2-1-3-5-12/h8-9,12-13,20H,1-7,10H2
InChIKeySPSSNYPXOLPOAC-UHFFFAOYSA-N
MW403.16 g/mol
LogP5.21
Rot. Bonds4

About 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol

2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol (PubChem CID 154272183) has the molecular formula C16H21Br2NO and a molecular weight of 403.16 g/mol. Its IUPAC name is 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol
PubChem CID154272183
Molecular FormulaC16H21Br2NO
Molecular Weight403.16 g/mol
Exact Mass401.00
IUPAC Name2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol
SMILESOc1c(Br)cc(CN(C2CCCCC2)C2CC2)cc1Br
InChIInChI=1S/C16H21Br2NO/c17-14-8-11(9-15(18)16(14)20)10-19(13-6-7-13)12-4-2-1-3-5-12/h8-9,12-13,20H,1-7,10H2
InChIKeySPSSNYPXOLPOAC-UHFFFAOYSA-N
XLogP5.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.16
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 4916282
2,4-dibromo-6-[[cycloheptyl(ethyl)amino]methyl]phenol
CID 154338312
2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
CID 107740666
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
2,4-dibromo-6-[[cyclopentyl(propan-2-yl)amino]methyl]phenol
CID 154347389
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
CID 104973956
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
N-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]cyclohexanamine
CID 20791723
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
CID 107740214
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol (CID 154272183) is 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol is Oc1c(Br)cc(CN(C2CCCCC2)C2CC2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol?
The InChIKey is SPSSNYPXOLPOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2NO/c17-14-8-11(9-15(18)16(14)20)10-19(13-6-7-13)12-4-2-1-3-5-12/h8-9,12-13,20H,1-7,10H2.
What are the key properties of 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol?
2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol has a molecular weight of 403.16 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[cyclohexyl(cyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 154272183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).