2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol

C15H21Br2NO2 — CID 107740759

IUPAC2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
SMILESCC1CCC(CO)(NCc2cc(Br)c(O)c(Br)c2)CC1
InChIInChI=1S/C15H21Br2NO2/c1-10-2-4-15(9-19,5-3-10)18-8-11-6-12(16)14(20)13(17)7-11/h6-7,10,18-20H,2-5,8-9H2,1H3
InChIKeyHJQVMMRHEBRMET-UHFFFAOYSA-N
MW407.15 g/mol
LogP3.95
Rot. Bonds4

About 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol

2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol (PubChem CID 107740759) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
PubChem CID107740759
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC Name2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
SMILESCC1CCC(CO)(NCc2cc(Br)c(O)c(Br)c2)CC1
InChIInChI=1S/C15H21Br2NO2/c1-10-2-4-15(9-19,5-3-10)18-8-11-6-12(16)14(20)13(17)7-11/h6-7,10,18-20H,2-5,8-9H2,1H3
InChIKeyHJQVMMRHEBRMET-UHFFFAOYSA-N
XLogP3.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol with MolForge

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Related Compounds

[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
[1-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-4-methylcyclohexyl]methanol
CID 62526215
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol (CID 107740759) is 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol is CC1CCC(CO)(NCc2cc(Br)c(O)c(Br)c2)CC1.
What is the InChIKey of 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol?
The InChIKey is HJQVMMRHEBRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2/c1-10-2-4-15(9-19,5-3-10)18-8-11-6-12(16)14(20)13(17)7-11/h6-7,10,18-20H,2-5,8-9H2,1H3.
What are the key properties of 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol?
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol has a molecular weight of 407.15 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 107740759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).