1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine

C14H20BrNO — CID 28918025

IUPAC1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
SMILESNC1(CCOc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C14H20BrNO/c15-12-5-4-6-13(11-12)17-10-9-14(16)7-2-1-3-8-14/h4-6,11H,1-3,7-10,16H2
InChIKeyWZPZMDDGOXJURL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine

1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine (PubChem CID 28918025) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
PubChem CID28918025
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
SMILESNC1(CCOc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C14H20BrNO/c15-12-5-4-6-13(11-12)17-10-9-14(16)7-2-1-3-8-14/h4-6,11H,1-3,7-10,16H2
InChIKeyWZPZMDDGOXJURL-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-bromophenoxy)ethyl]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-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
1-[2-(3-ethylphenoxy)ethyl]cyclopentan-1-amine
CID 28917907
1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 65376174
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840
1-[[2-(3-bromophenoxy)ethylamino]methyl]cycloheptan-1-ol
CID 65123551
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine (CID 28918025) is 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine is NC1(CCOc2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine?
The InChIKey is WZPZMDDGOXJURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-12-5-4-6-13(11-12)17-10-9-14(16)7-2-1-3-8-14/h4-6,11H,1-3,7-10,16H2.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine?
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 28918025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).