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

C16H24BrNO — CID 80603583

IUPAC1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
SMILESNC1(CCOc2cccc(Br)c2)CCCCCCC1
InChIInChI=1S/C16H24BrNO/c17-14-7-6-8-15(13-14)19-12-11-16(18)9-4-2-1-3-5-10-16/h6-8,13H,1-5,9-12,18H2
InChIKeyUUZWTVNEDQRMBX-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.66
Rot. Bonds4

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

1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine (PubChem CID 80603583) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
PubChem CID80603583
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
SMILESNC1(CCOc2cccc(Br)c2)CCCCCCC1
InChIInChI=1S/C16H24BrNO/c17-14-7-6-8-15(13-14)19-12-11-16(18)9-4-2-1-3-5-10-16/h6-8,13H,1-5,9-12,18H2
InChIKeyUUZWTVNEDQRMBX-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.66
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-[(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]cyclooctan-1-amine?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine (CID 80603583) is 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine is NC1(CCOc2cccc(Br)c2)CCCCCCC1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine?
The InChIKey is UUZWTVNEDQRMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c17-14-7-6-8-15(13-14)19-12-11-16(18)9-4-2-1-3-5-10-16/h6-8,13H,1-5,9-12,18H2.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine?
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.66, 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]cyclooctan-1-amine is sourced from PubChem (CID 80603583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).