2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline

C17H27NO2 — CID 64729571

IUPAC2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline
SMILESCC1CC(C)CC(OCCCOc2ccccc2N)C1
InChIInChI=1S/C17H27NO2/c1-13-10-14(2)12-15(11-13)19-8-5-9-20-17-7-4-3-6-16(17)18/h3-4,6-7,13-15H,5,8-12,18H2,1-2H3
InChIKeyAFKNKMNRYAKXSS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.88
Rot. Bonds6

About 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline

2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline (PubChem CID 64729571) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline.

Molecular Properties

Compound Name2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline
PubChem CID64729571
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline
SMILESCC1CC(C)CC(OCCCOc2ccccc2N)C1
InChIInChI=1S/C17H27NO2/c1-13-10-14(2)12-15(11-13)19-8-5-9-20-17-7-4-3-6-16(17)18/h3-4,6-7,13-15H,5,8-12,18H2,1-2H3
InChIKeyAFKNKMNRYAKXSS-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzonitrile
CID 64728582
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
2-(2-cyclobutyloxyethoxy)aniline
CID 62116635
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
2-octoxyaniline
CID 14747235
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
3-chloro-2-[(3,5-dimethylcyclohexyl)oxymethyl]aniline
CID 64731369
2-ethoxyaniline;molecular hydrogen
CID 144877970
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline?
The IUPAC name of 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline (CID 64729571) is 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline.
What is the SMILES notation for 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline?
The canonical SMILES for 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline is CC1CC(C)CC(OCCCOc2ccccc2N)C1.
What is the InChIKey of 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline?
The InChIKey is AFKNKMNRYAKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-10-14(2)12-15(11-13)19-8-5-9-20-17-7-4-3-6-16(17)18/h3-4,6-7,13-15H,5,8-12,18H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline?
2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline has a molecular weight of 277.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline is sourced from PubChem (CID 64729571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).