[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine

C15H21BrFNO — CID 107532709

IUPAC[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
SMILESCCC1CCCC(Oc2ccc(CN)c(Br)c2F)C1
InChIInChI=1S/C15H21BrFNO/c1-2-10-4-3-5-12(8-10)19-13-7-6-11(9-18)14(16)15(13)17/h6-7,10,12H,2-5,8-9,18H2,1H3
InChIKeySGNOZGXBQGYDMQ-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.39
Rot. Bonds4

About [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine

[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine (PubChem CID 107532709) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
PubChem CID107532709
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
SMILESCCC1CCCC(Oc2ccc(CN)c(Br)c2F)C1
InChIInChI=1S/C15H21BrFNO/c1-2-10-4-3-5-12(8-10)19-13-7-6-11(9-18)14(16)15(13)17/h6-7,10,12H,2-5,8-9,18H2,1H3
InChIKeySGNOZGXBQGYDMQ-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532712
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
[4-(3-ethylcyclohexyl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81250323
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 107536167
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
2-bromo-4-cyclobutyloxy-3-fluorobenzenecarbothioamide
CID 107535656
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
CID 106786351
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777491
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine?
The IUPAC name of [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine (CID 107532709) is [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine?
The canonical SMILES for [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine is CCC1CCCC(Oc2ccc(CN)c(Br)c2F)C1.
What is the InChIKey of [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine?
The InChIKey is SGNOZGXBQGYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-10-4-3-5-12(8-10)19-13-7-6-11(9-18)14(16)15(13)17/h6-7,10,12H,2-5,8-9,18H2,1H3.
What are the key properties of [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine?
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine has a molecular weight of 330.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine is sourced from PubChem (CID 107532709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).