3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H19BrFNO — CID 103699874

IUPAC3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFNO/c15-13-7-11(4-5-14(13)16)9-17-8-10-2-1-3-12(18)6-10/h4-5,7,10,12,17-18H,1-3,6,8-9H2
InChIKeyDRAGTERUNCNCJI-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.23
Rot. Bonds4

About 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699874) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699874
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFNO/c15-13-7-11(4-5-14(13)16)9-17-8-10-2-1-3-12(18)6-10/h4-5,7,10,12,17-18H,1-3,6,8-9H2
InChIKeyDRAGTERUNCNCJI-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(4-bromo-3-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699895
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
N-[(3-bromo-4-fluorophenyl)methyl]-3-cyclopropylpropan-1-amine
CID 115639618
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699874) is 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is DRAGTERUNCNCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-13-7-11(4-5-14(13)16)9-17-8-10-2-1-3-12(18)6-10/h4-5,7,10,12,17-18H,1-3,6,8-9H2.
What are the key properties of 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 316.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).