4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol

C26H37NO — CID 144931286

IUPAC4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol
SMILESCc1cc(C2(c3ccc(O)c(C)c3)CCCCCCCCCCC2)ccc1N
InChIInChI=1S/C26H37NO/c1-20-18-22(12-14-24(20)27)26(23-13-15-25(28)21(2)19-23)16-10-8-6-4-3-5-7-9-11-17-26/h12-15,18-19,28H,3-11,16-17,27H2,1-2H3
InChIKeyAZBSHSKODHGSBZ-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.18
Rot. Bonds2

About 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol

4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol (PubChem CID 144931286) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol.

Molecular Properties

Compound Name4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol
PubChem CID144931286
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol
SMILESCc1cc(C2(c3ccc(O)c(C)c3)CCCCCCCCCCC2)ccc1N
InChIInChI=1S/C26H37NO/c1-20-18-22(12-14-24(20)27)26(23-13-15-25(28)21(2)19-23)16-10-8-6-4-3-5-7-9-11-17-26/h12-15,18-19,28H,3-11,16-17,27H2,1-2H3
InChIKeyAZBSHSKODHGSBZ-UHFFFAOYSA-N
XLogP7.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol?
The IUPAC name of 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol (CID 144931286) is 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol.
What is the SMILES notation for 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol?
The canonical SMILES for 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol is Cc1cc(C2(c3ccc(O)c(C)c3)CCCCCCCCCCC2)ccc1N.
What is the InChIKey of 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol?
The InChIKey is AZBSHSKODHGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-20-18-22(12-14-24(20)27)26(23-13-15-25(28)21(2)19-23)16-10-8-6-4-3-5-7-9-11-17-26/h12-15,18-19,28H,3-11,16-17,27H2,1-2H3.
What are the key properties of 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol?
4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol has a molecular weight of 379.59 g/mol, XLogP of 7.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol is sourced from PubChem (CID 144931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).