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

C16H23BrFNO — CID 65116216

IUPAC1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H23BrFNO/c1-2-12-5-7-16(20,8-6-12)11-19-10-13-3-4-15(18)14(17)9-13/h3-4,9,12,19-20H,2,5-8,10-11H2,1H3
InChIKeyGQMBGFQRYKZLNQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.01
Rot. Bonds5

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

1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116216) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116216
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H23BrFNO/c1-2-12-5-7-16(20,8-6-12)11-19-10-13-3-4-15(18)14(17)9-13/h3-4,9,12,19-20H,2,5-8,10-11H2,1H3
InChIKeyGQMBGFQRYKZLNQ-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
1-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106263515
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65115953
2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
CID 65117949
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 102836147
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol (CID 65116216) is 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is GQMBGFQRYKZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-2-12-5-7-16(20,8-6-12)11-19-10-13-3-4-15(18)14(17)9-13/h3-4,9,12,19-20H,2,5-8,10-11H2,1H3.
What are the key properties of 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 344.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).