2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine

C15H20BrNO — CID 114620717

IUPAC2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
SMILESCc1cc(Br)cc(CCN)c1OC1C=CCCC1
InChIInChI=1S/C15H20BrNO/c1-11-9-13(16)10-12(7-8-17)15(11)18-14-5-3-2-4-6-14/h3,5,9-10,14H,2,4,6-8,17H2,1H3
InChIKeyXZDUHHCIDSKECZ-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.75
Rot. Bonds4

About 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine

2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine (PubChem CID 114620717) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
PubChem CID114620717
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
SMILESCc1cc(Br)cc(CCN)c1OC1C=CCCC1
InChIInChI=1S/C15H20BrNO/c1-11-9-13(16)10-12(7-8-17)15(11)18-14-5-3-2-4-6-14/h3,5,9-10,14H,2,4,6-8,17H2,1H3
InChIKeyXZDUHHCIDSKECZ-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
CID 114620042
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
CID 107284123
2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
CID 112621644
[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 112619867
(3-bromo-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methanol
CID 114620145
2-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]ethanamine
CID 116523144
(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine
CID 114619906
1-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114620662
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine (CID 114620717) is 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine is Cc1cc(Br)cc(CCN)c1OC1C=CCCC1.
What is the InChIKey of 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine?
The InChIKey is XZDUHHCIDSKECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-9-13(16)10-12(7-8-17)15(11)18-14-5-3-2-4-6-14/h3,5,9-10,14H,2,4,6-8,17H2,1H3.
What are the key properties of 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine?
2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine has a molecular weight of 310.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 114620717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).