[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol

C15H21BrFNO — CID 79710411

IUPAC[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C15H21BrFNO/c1-11-2-4-15(10-19,5-3-11)18-9-12-6-13(16)8-14(17)7-12/h6-8,11,18-19H,2-5,9-10H2,1H3
InChIKeyCVRLGSCNYRTGCW-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.62
Rot. Bonds4

About [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol

[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 79710411) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID79710411
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C15H21BrFNO/c1-11-2-4-15(10-19,5-3-11)18-9-12-6-13(16)8-14(17)7-12/h6-8,11,18-19H,2-5,9-10H2,1H3
InChIKeyCVRLGSCNYRTGCW-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
[1-[(3-fluoro-5-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115980440
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 79711478
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol (CID 79710411) is [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is CVRLGSCNYRTGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-11-2-4-15(10-19,5-3-11)18-9-12-6-13(16)8-14(17)7-12/h6-8,11,18-19H,2-5,9-10H2,1H3.
What are the key properties of [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 330.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 79710411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).