3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine

C13H17BrFNO — CID 79466114

IUPAC3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCCC(OCc2ccc(Br)cc2F)C1
InChIInChI=1S/C13H17BrFNO/c14-10-5-4-9(13(15)6-10)8-17-12-3-1-2-11(16)7-12/h4-6,11-12H,1-3,7-8,16H2
InChIKeyPVAFPKCNJJEALU-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.37
Rot. Bonds3

About 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine

3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine (PubChem CID 79466114) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
PubChem CID79466114
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCCC(OCc2ccc(Br)cc2F)C1
InChIInChI=1S/C13H17BrFNO/c14-10-5-4-9(13(15)6-10)8-17-12-3-1-2-11(16)7-12/h4-6,11-12H,1-3,7-8,16H2
InChIKeyPVAFPKCNJJEALU-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
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CID 64768897
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691
3-[(4-chloro-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 79464860
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
3-[(5-bromofuran-2-yl)methoxy]cyclohexan-1-amine
CID 79465805
3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
CID 79465915
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine (CID 79466114) is 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine is NC1CCCC(OCc2ccc(Br)cc2F)C1.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine?
The InChIKey is PVAFPKCNJJEALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-10-5-4-9(13(15)6-10)8-17-12-3-1-2-11(16)7-12/h4-6,11-12H,1-3,7-8,16H2.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine?
3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine has a molecular weight of 302.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 79466114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).