1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol

C16H24BrNO — CID 82969824

IUPAC1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
SMILESCC1CCCC(N(C)c2ccc(Br)cc2C(C)O)C1
InChIInChI=1S/C16H24BrNO/c1-11-5-4-6-14(9-11)18(3)16-8-7-13(17)10-15(16)12(2)19/h7-8,10-12,14,19H,4-6,9H2,1-3H3
InChIKeySLBXETPLZAYRNO-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.52
Rot. Bonds3

About 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol

1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol (PubChem CID 82969824) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
PubChem CID82969824
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
SMILESCC1CCCC(N(C)c2ccc(Br)cc2C(C)O)C1
InChIInChI=1S/C16H24BrNO/c1-11-5-4-6-14(9-11)18(3)16-8-7-13(17)10-15(16)12(2)19/h7-8,10-12,14,19H,4-6,9H2,1-3H3
InChIKeySLBXETPLZAYRNO-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
5-bromo-2-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 114895667
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 114892468
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 82973207
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 63734959
1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol
CID 82971025
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol (CID 82969824) is 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol is CC1CCCC(N(C)c2ccc(Br)cc2C(C)O)C1.
What is the InChIKey of 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol?
The InChIKey is SLBXETPLZAYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-5-4-6-14(9-11)18(3)16-8-7-13(17)10-15(16)12(2)19/h7-8,10-12,14,19H,4-6,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol?
1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol has a molecular weight of 326.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol is sourced from PubChem (CID 82969824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).