4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline

C16H24BrNO — CID 65342644

IUPAC4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2cc(Br)ccc2N)C1
InChIInChI=1S/C16H24BrNO/c1-10(2)13-6-4-11(3)8-15(13)19-16-9-12(17)5-7-14(16)18/h5,7,9-11,13,15H,4,6,8,18H2,1-3H3
InChIKeyBNZVWHOQPHIMRW-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.87
Rot. Bonds3

About 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline

4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (PubChem CID 65342644) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
PubChem CID65342644
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2cc(Br)ccc2N)C1
InChIInChI=1S/C16H24BrNO/c1-10(2)13-6-4-11(3)8-15(13)19-16-9-12(17)5-7-14(16)18/h5,7,9-11,13,15H,4,6,8,18H2,1-3H3
InChIKeyBNZVWHOQPHIMRW-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43098258
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzoic acid
CID 114896117
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
CID 43100670
1-(5-bromo-2-methoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 100922846
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588
(5-methyl-2-propan-2-ylcyclohexyl) 2-amino-5-[[4-amino-3-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylphenyl]diselanyl]benzoate
CID 170519195
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
3-chloro-4-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 143166019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The IUPAC name of 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (CID 65342644) is 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.
What is the SMILES notation for 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The canonical SMILES for 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is CC1CCC(C(C)C)C(Oc2cc(Br)ccc2N)C1.
What is the InChIKey of 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The InChIKey is BNZVWHOQPHIMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-10(2)13-6-4-11(3)8-15(13)19-16-9-12(17)5-7-14(16)18/h5,7,9-11,13,15H,4,6,8,18H2,1-3H3.
What are the key properties of 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline has a molecular weight of 326.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is sourced from PubChem (CID 65342644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).