4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol

C16H24BrNO — CID 112621836

IUPAC4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
SMILESCc1cc(Br)cc(CN(C)C2CCCCC2C)c1O
InChIInChI=1S/C16H24BrNO/c1-11-6-4-5-7-15(11)18(3)10-13-9-14(17)8-12(2)16(13)19/h8-9,11,15,19H,4-7,10H2,1-3H3
InChIKeyVVSQRKRRCHLKEA-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.47
Rot. Bonds3

About 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol

4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol (PubChem CID 112621836) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
PubChem CID112621836
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
SMILESCc1cc(Br)cc(CN(C)C2CCCCC2C)c1O
InChIInChI=1S/C16H24BrNO/c1-11-6-4-5-7-15(11)18(3)10-13-9-14(17)8-12(2)16(13)19/h8-9,11,15,19H,4-7,10H2,1-3H3
InChIKeyVVSQRKRRCHLKEA-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
6-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 47164420
2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
CID 115903836
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
CID 112621866
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80728304
N-[(5-fluoro-2-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 112841310
4-fluoro-2-[[methyl-(2-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 64763943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol (CID 112621836) is 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol is Cc1cc(Br)cc(CN(C)C2CCCCC2C)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is VVSQRKRRCHLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-6-4-5-7-15(11)18(3)10-13-9-14(17)8-12(2)16(13)19/h8-9,11,15,19H,4-7,10H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 326.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 112621836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).