3-cyclohexyloxy-5-propan-2-yloxyaniline

C15H23NO2 — CID 80749311

IUPAC3-cyclohexyloxy-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(OC2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-11(2)17-14-8-12(16)9-15(10-14)18-13-6-4-3-5-7-13/h8-11,13H,3-7,16H2,1-2H3
InChIKeyGDNVRYPDCBRNBI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.77
Rot. Bonds4

About 3-cyclohexyloxy-5-propan-2-yloxyaniline

3-cyclohexyloxy-5-propan-2-yloxyaniline (PubChem CID 80749311) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-cyclohexyloxy-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-cyclohexyloxy-5-propan-2-yloxyaniline
PubChem CID80749311
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-cyclohexyloxy-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(OC2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-11(2)17-14-8-12(16)9-15(10-14)18-13-6-4-3-5-7-13/h8-11,13H,3-7,16H2,1-2H3
InChIKeyGDNVRYPDCBRNBI-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.77
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

3-cyclopentyloxy-5-propoxyaniline
CID 80749428
3,5-dicyclohexyloxyphenol
CID 21489857
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-propan-2-yl-5-propan-2-yloxyaniline
CID 131411497
5-cyclohexyloxypyridin-3-amine
CID 104536072
3-N-cyclohex-3-en-1-yl-5-propan-2-yloxybenzene-1,3-diamine
CID 80736257
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
3-N-methyl-5-propan-2-yloxy-3-N-(thiolan-3-yl)benzene-1,3-diamine
CID 80722163
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(2-piperidin-1-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739984
3-N-(oxan-3-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80734659

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-5-propan-2-yloxyaniline?
The IUPAC name of 3-cyclohexyloxy-5-propan-2-yloxyaniline (CID 80749311) is 3-cyclohexyloxy-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-cyclohexyloxy-5-propan-2-yloxyaniline?
The canonical SMILES for 3-cyclohexyloxy-5-propan-2-yloxyaniline is CC(C)Oc1cc(N)cc(OC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyloxy-5-propan-2-yloxyaniline?
The InChIKey is GDNVRYPDCBRNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)17-14-8-12(16)9-15(10-14)18-13-6-4-3-5-7-13/h8-11,13H,3-7,16H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-5-propan-2-yloxyaniline?
3-cyclohexyloxy-5-propan-2-yloxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-5-propan-2-yloxyaniline is sourced from PubChem (CID 80749311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).