1-[(3-bromophenoxy)methyl]cyclohexan-1-amine

C13H18BrNO — CID 84715280

IUPAC1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
SMILESNC1(COc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C13H18BrNO/c14-11-5-4-6-12(9-11)16-10-13(15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,15H2
InChIKeyMYKMRMBSZQTURI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.49
Rot. Bonds3

About 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine

1-[(3-bromophenoxy)methyl]cyclohexan-1-amine (PubChem CID 84715280) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
PubChem CID84715280
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
SMILESNC1(COc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C13H18BrNO/c14-11-5-4-6-12(9-11)16-10-13(15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,15H2
InChIKeyMYKMRMBSZQTURI-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715279
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708806
1-[(3-bromophenoxy)methyl]-2-methylcyclopropan-1-amine
CID 84708804
4-[(1-aminocycloheptyl)methoxy]-2-bromobenzonitrile
CID 107281557
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840
1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 65376174
1-[[2-(3-bromophenoxy)ethylamino]methyl]cycloheptan-1-ol
CID 65123551
1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine
CID 10777425

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine (CID 84715280) is 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine is NC1(COc2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine?
The InChIKey is MYKMRMBSZQTURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-11-5-4-6-12(9-11)16-10-13(15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,15H2.
What are the key properties of 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine?
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenoxy)methyl]cyclohexan-1-amine is sourced from PubChem (CID 84715280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).