1-[(4-bromophenoxy)methyl]cyclohexan-1-amine

C13H18BrNO — CID 84715279

IUPAC1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
SMILESNC1(COc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H18BrNO/c14-11-4-6-12(7-5-11)16-10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKeyPBIDISHSKWXNLD-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.49
Rot. Bonds3

About 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine

1-[(4-bromophenoxy)methyl]cyclohexan-1-amine (PubChem CID 84715279) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
PubChem CID84715279
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
SMILESNC1(COc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H18BrNO/c14-11-4-6-12(7-5-11)16-10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKeyPBIDISHSKWXNLD-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

Analyze 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708806
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
4-[(1-aminocycloheptyl)methoxy]-2-bromobenzonitrile
CID 107281557
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
1-[(2-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708808
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
1-[(2-methoxyphenoxy)methyl]cyclohexan-1-amine
CID 84698885

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine (CID 84715279) is 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine is NC1(COc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine?
The InChIKey is PBIDISHSKWXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-11-4-6-12(7-5-11)16-10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2.
What are the key properties of 1-[(4-bromophenoxy)methyl]cyclohexan-1-amine?
1-[(4-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-[(4-bromophenoxy)methyl]cyclohexan-1-amine is sourced from PubChem (CID 84715279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).