1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine

C17H26BrNO — CID 63863292

IUPAC1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
SMILESCCC1CCCCC1Oc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C17H26BrNO/c1-3-14-6-4-5-7-16(14)20-17-9-8-13(10-12(2)19)11-15(17)18/h8-9,11-12,14,16H,3-7,10,19H2,1-2H3
InChIKeyIWPCLVBGNBWNLO-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.69
Rot. Bonds5

About 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine

1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine (PubChem CID 63863292) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
PubChem CID63863292
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
SMILESCCC1CCCCC1Oc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C17H26BrNO/c1-3-14-6-4-5-7-16(14)20-17-9-8-13(10-12(2)19)11-15(17)18/h8-9,11-12,14,16H,3-7,10,19H2,1-2H3
InChIKeyIWPCLVBGNBWNLO-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
CID 78953333
(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
CID 102948860
1-[5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylphenyl]propan-2-amine
CID 115962866
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 63862926
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine (CID 63863292) is 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine is CCC1CCCCC1Oc1ccc(CC(C)N)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine?
The InChIKey is IWPCLVBGNBWNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-14-6-4-5-7-16(14)20-17-9-8-13(10-12(2)19)11-15(17)18/h8-9,11-12,14,16H,3-7,10,19H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine?
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 63863292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).