2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol

C15H21Br2NO — CID 107740666

IUPAC2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
SMILESOc1c(Br)cc(CNCCC2CCCCC2)cc1Br
InChIInChI=1S/C15H21Br2NO/c16-13-8-12(9-14(17)15(13)19)10-18-7-6-11-4-2-1-3-5-11/h8-9,11,18-19H,1-7,10H2
InChIKeyDPJICKHSJBMXBP-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.98
Rot. Bonds5

About 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol

2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol (PubChem CID 107740666) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
PubChem CID107740666
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
SMILESOc1c(Br)cc(CNCCC2CCCCC2)cc1Br
InChIInChI=1S/C15H21Br2NO/c16-13-8-12(9-14(17)15(13)19)10-18-7-6-11-4-2-1-3-5-11/h8-9,11,18-19H,1-7,10H2
InChIKeyDPJICKHSJBMXBP-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
N-[(3-bromo-5-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 79709953
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
CID 113454132
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
2-cyclobutyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 115690076
2-bromo-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114515226
2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60733457
2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
CID 107740729
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
2,6-dibromo-4-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 107740537
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol (CID 107740666) is 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol is Oc1c(Br)cc(CNCCC2CCCCC2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol?
The InChIKey is DPJICKHSJBMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c16-13-8-12(9-14(17)15(13)19)10-18-7-6-11-4-2-1-3-5-11/h8-9,11,18-19H,1-7,10H2.
What are the key properties of 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol?
2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol has a molecular weight of 391.15 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol is sourced from PubChem (CID 107740666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).