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

C16H24ClNO — CID 43109138

IUPAC5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2ccc(Cl)cc2N)C1
InChIInChI=1S/C16H24ClNO/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
InChIKeyVBABJXCKNURMNI-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.76
Rot. Bonds3

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

5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (PubChem CID 43109138) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
PubChem CID43109138
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2ccc(Cl)cc2N)C1
InChIInChI=1S/C16H24ClNO/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
InChIKeyVBABJXCKNURMNI-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.76
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-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733
4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 65342644
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
3-chloro-4-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 143166019
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2,4-dichlorophenoxy)acetate
CID 53297550
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7442783
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzoic acid
CID 114896117
[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 51685606
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The IUPAC name of 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (CID 43109138) is 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.
What is the SMILES notation for 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The canonical SMILES for 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is CC1CCC(C(C)C)C(Oc2ccc(Cl)cc2N)C1.
What is the InChIKey of 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The InChIKey is VBABJXCKNURMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/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-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline has a molecular weight of 281.83 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is sourced from PubChem (CID 43109138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).