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

C16H24BrNO — CID 43098258

IUPAC5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2ccc(Br)cc2N)C1
InChIInChI=1S/C16H24BrNO/c1-10(2)13-6-4-11(3)8-16(13)19-15-7-5-12(17)9-14(15)18/h5,7,9-11,13,16H,4,6,8,18H2,1-3H3
InChIKeyIFTHBUSMHIKRKK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.87
Rot. Bonds3

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

5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (PubChem CID 43098258) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
PubChem CID43098258
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2ccc(Br)cc2N)C1
InChIInChI=1S/C16H24BrNO/c1-10(2)13-6-4-11(3)8-16(13)19-15-7-5-12(17)9-14(15)18/h5,7,9-11,13,16H,4,6,8,18H2,1-3H3
InChIKeyIFTHBUSMHIKRKK-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

4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 65342644
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzoic acid
CID 114896117
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
1-(5-bromo-2-methoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 100922846
3-chloro-4-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 143166019
2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
CID 43100670
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
CID 8633
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The IUPAC name of 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (CID 43098258) is 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.
What is the SMILES notation for 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The canonical SMILES for 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is CC1CCC(C(C)C)C(Oc2ccc(Br)cc2N)C1.
What is the InChIKey of 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The InChIKey is IFTHBUSMHIKRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-10(2)13-6-4-11(3)8-16(13)19-15-7-5-12(17)9-14(15)18/h5,7,9-11,13,16H,4,6,8,18H2,1-3H3.
What are the key properties of 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
5-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 5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is sourced from PubChem (CID 43098258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).