4-(4-bromophenoxy)cyclohexan-1-amine

C12H16BrNO — CID 16756742

IUPAC4-(4-bromophenoxy)cyclohexan-1-amine
SMILESNC1CCC(Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,10,12H,3-4,7-8,14H2
InChIKeyGPVBQIFEDMPNON-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.10
Rot. Bonds2

About 4-(4-bromophenoxy)cyclohexan-1-amine

4-(4-bromophenoxy)cyclohexan-1-amine (PubChem CID 16756742) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(4-bromophenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)cyclohexan-1-amine
PubChem CID16756742
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-(4-bromophenoxy)cyclohexan-1-amine
SMILESNC1CCC(Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,10,12H,3-4,7-8,14H2
InChIKeyGPVBQIFEDMPNON-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-cyclopropyloxybenzene
CID 50998694
1-bromo-4-cyclopentyloxybenzene
CID 22599958
4-(4-methoxyphenoxy)cyclohexan-1-amine
CID 16756065
4-(4-bromophenoxy)thiane
CID 134090229
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555
1-bromo-4-(3-propylcyclopentyl)oxybenzene
CID 141355711
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
4-(4-aminocyclohexyl)oxy-2-chloroaniline
CID 163752996
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)cyclohexan-1-amine?
The IUPAC name of 4-(4-bromophenoxy)cyclohexan-1-amine (CID 16756742) is 4-(4-bromophenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-bromophenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(4-bromophenoxy)cyclohexan-1-amine is NC1CCC(Oc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenoxy)cyclohexan-1-amine?
The InChIKey is GPVBQIFEDMPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,10,12H,3-4,7-8,14H2.
What are the key properties of 4-(4-bromophenoxy)cyclohexan-1-amine?
4-(4-bromophenoxy)cyclohexan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)cyclohexan-1-amine is sourced from PubChem (CID 16756742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).