3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline

C16H25NO — CID 80752408

IUPAC3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2cccc(N)c2)C1
InChIInChI=1S/C16H25NO/c1-11(2)15-8-7-12(3)9-16(15)18-14-6-4-5-13(17)10-14/h4-6,10-12,15-16H,7-9,17H2,1-3H3
InChIKeyOTGZDQKUIJIDQI-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.11
Rot. Bonds3

About 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline

3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (PubChem CID 80752408) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
PubChem CID80752408
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
SMILESCC1CCC(C(C)C)C(Oc2cccc(N)c2)C1
InChIInChI=1S/C16H25NO/c1-11(2)15-8-7-12(3)9-16(15)18-14-6-4-5-13(17)10-14/h4-6,10-12,15-16H,7-9,17H2,1-3H3
InChIKeyOTGZDQKUIJIDQI-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.11
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

1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol
CID 62268624
(5-methyl-2-propan-2-ylcyclohexyl) 2-(3-aminophenyl)-2-methoxyacetate
CID 174669057
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43098258
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138
4-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 65342644
1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83127834
2-chloro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 59203893
1-O-[2-(3-aminophenyl)-2-oxoethyl] 2-O-(5-methyl-2-propan-2-ylcyclohexyl) benzene-1,2-dicarboxylate
CID 23789860
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
N-[[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]propan-1-amine
CID 146331816

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The IUPAC name of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline (CID 80752408) is 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is CC1CCC(C(C)C)C(Oc2cccc(N)c2)C1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
The InChIKey is OTGZDQKUIJIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)15-8-7-12(3)9-16(15)18-14-6-4-5-13(17)10-14/h4-6,10-12,15-16H,7-9,17H2,1-3H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline?
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline has a molecular weight of 247.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline is sourced from PubChem (CID 80752408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).