1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine

C15H22BrNO — CID 62911219

IUPAC1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCCC(Oc2ccc(C(C)N)cc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h6-7,9-11,13H,3-5,8,17H2,1-2H3
InChIKeyJNSXEOBSVHHIBK-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.43
Rot. Bonds3

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

1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 62911219) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID62911219
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCCC(Oc2ccc(C(C)N)cc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h6-7,9-11,13H,3-5,8,17H2,1-2H3
InChIKeyJNSXEOBSVHHIBK-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
1-[3-bromo-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64728805
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117459164
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine (CID 62911219) is 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine is CC1CCCC(Oc2ccc(C(C)N)cc2Br)C1.
What is the InChIKey of 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is JNSXEOBSVHHIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h6-7,9-11,13H,3-5,8,17H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine?
1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.43, 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-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 62911219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).