4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol

C14H19BrFNO — CID 115239824

IUPAC4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol
SMILESCN(CC1CCC(O)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO/c1-17(9-10-2-5-12(18)6-3-10)14-8-11(15)4-7-13(14)16/h4,7-8,10,12,18H,2-3,5-6,9H2,1H3
InChIKeyCUKBDXRQCUMJLD-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.58
Rot. Bonds3

About 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol

4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol (PubChem CID 115239824) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol
PubChem CID115239824
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol
SMILESCN(CC1CCC(O)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO/c1-17(9-10-2-5-12(18)6-3-10)14-8-11(15)4-7-13(14)16/h4,7-8,10,12,18H,2-3,5-6,9H2,1H3
InChIKeyCUKBDXRQCUMJLD-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol (CID 115239824) is 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol is CN(CC1CCC(O)CC1)c1cc(Br)ccc1F.
What is the InChIKey of 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol?
The InChIKey is CUKBDXRQCUMJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-17(9-10-2-5-12(18)6-3-10)14-8-11(15)4-7-13(14)16/h4,7-8,10,12,18H,2-3,5-6,9H2,1H3.
What are the key properties of 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol?
4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol has a molecular weight of 316.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).