1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine

C16H24BrNO — CID 64745370

IUPAC1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCC(C)C(C)C2)c(Br)c1
InChIInChI=1S/C16H24BrNO/c1-10-4-6-14(8-11(10)2)19-16-7-5-13(12(3)18)9-15(16)17/h5,7,9-12,14H,4,6,8,18H2,1-3H3
InChIKeyUIIJHFNJKMOFQO-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.67
Rot. Bonds3

About 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine

1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64745370) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64745370
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCC(C)C(C)C2)c(Br)c1
InChIInChI=1S/C16H24BrNO/c1-10-4-6-14(8-11(10)2)19-16-7-5-13(12(3)18)9-15(16)17/h5,7,9-12,14H,4,6,8,18H2,1-3H3
InChIKeyUIIJHFNJKMOFQO-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 62911219
1-[3-bromo-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64728805
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117459164
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine (CID 64745370) is 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine is CC(N)c1ccc(OC2CCC(C)C(C)C2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is UIIJHFNJKMOFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-10-4-6-14(8-11(10)2)19-16-7-5-13(12(3)18)9-15(16)17/h5,7,9-12,14H,4,6,8,18H2,1-3H3.
What are the key properties of 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64745370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).