1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine

C14H19BrFN — CID 66424249

IUPAC1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrFN/c1-17-14(10-5-3-2-4-6-10)11-7-12(15)9-13(16)8-11/h7-10,14,17H,2-6H2,1H3
InChIKeyDSYUNXKZUMDPSN-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.43
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine

1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine (PubChem CID 66424249) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
PubChem CID66424249
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrFN/c1-17-14(10-5-3-2-4-6-10)11-7-12(15)9-13(16)8-11/h7-10,14,17H,2-6H2,1H3
InChIKeyDSYUNXKZUMDPSN-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
[(3-bromo-5-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105238562
[(3-bromo-5-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105238751
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
CID 171267777
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 66425051
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
CID 171267775
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine (CID 66424249) is 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine is CNC(c1cc(F)cc(Br)c1)C1CCCCC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine?
The InChIKey is DSYUNXKZUMDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-17-14(10-5-3-2-4-6-10)11-7-12(15)9-13(16)8-11/h7-10,14,17H,2-6H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine?
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine has a molecular weight of 300.22 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 66424249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).