4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline

C17H27NO2 — CID 83002906

IUPAC4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline
SMILESCC1CC(C)CC(Oc2ccc(N)c(OC(C)C)c2)C1
InChIInChI=1S/C17H27NO2/c1-11(2)19-17-10-14(5-6-16(17)18)20-15-8-12(3)7-13(4)9-15/h5-6,10-13,15H,7-9,18H2,1-4H3
InChIKeyFOGSJMPEROWQPP-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.26
Rot. Bonds4

About 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline

4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline (PubChem CID 83002906) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline
PubChem CID83002906
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline
SMILESCC1CC(C)CC(Oc2ccc(N)c(OC(C)C)c2)C1
InChIInChI=1S/C17H27NO2/c1-11(2)19-17-10-14(5-6-16(17)18)20-15-8-12(3)7-13(4)9-15/h5-6,10-13,15H,7-9,18H2,1-4H3
InChIKeyFOGSJMPEROWQPP-UHFFFAOYSA-N
XLogP4.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 104529359
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-amino-3-propan-2-yloxyphenol
CID 69025591
1-[2-chloro-4-(3,5-dimethylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 64729400

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline (CID 83002906) is 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline is CC1CC(C)CC(Oc2ccc(N)c(OC(C)C)c2)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline?
The InChIKey is FOGSJMPEROWQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11(2)19-17-10-14(5-6-16(17)18)20-15-8-12(3)7-13(4)9-15/h5-6,10-13,15H,7-9,18H2,1-4H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline?
4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline has a molecular weight of 277.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).