2-amino-4,6-dicyclohexylphenol;hydrochloride

C18H28ClNO — CID 139812454

IUPAC2-amino-4,6-dicyclohexylphenol;hydrochloride
SMILESCl.Nc1cc(C2CCCCC2)cc(C2CCCCC2)c1O
InChIInChI=1S/C18H27NO.ClH/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14;/h11-14,20H,1-10,19H2;1H
InChIKeyRWFIYYSKUQDXLP-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.49
Rot. Bonds2

About 2-amino-4,6-dicyclohexylphenol;hydrochloride

2-amino-4,6-dicyclohexylphenol;hydrochloride (PubChem CID 139812454) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-amino-4,6-dicyclohexylphenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4,6-dicyclohexylphenol;hydrochloride
PubChem CID139812454
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-amino-4,6-dicyclohexylphenol;hydrochloride
SMILESCl.Nc1cc(C2CCCCC2)cc(C2CCCCC2)c1O
InChIInChI=1S/C18H27NO.ClH/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14;/h11-14,20H,1-10,19H2;1H
InChIKeyRWFIYYSKUQDXLP-UHFFFAOYSA-N
XLogP5.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dicyclohexylphenol;hydrochloride?
The IUPAC name of 2-amino-4,6-dicyclohexylphenol;hydrochloride (CID 139812454) is 2-amino-4,6-dicyclohexylphenol;hydrochloride.
What is the SMILES notation for 2-amino-4,6-dicyclohexylphenol;hydrochloride?
The canonical SMILES for 2-amino-4,6-dicyclohexylphenol;hydrochloride is Cl.Nc1cc(C2CCCCC2)cc(C2CCCCC2)c1O.
What is the InChIKey of 2-amino-4,6-dicyclohexylphenol;hydrochloride?
The InChIKey is RWFIYYSKUQDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14;/h11-14,20H,1-10,19H2;1H.
What are the key properties of 2-amino-4,6-dicyclohexylphenol;hydrochloride?
2-amino-4,6-dicyclohexylphenol;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dicyclohexylphenol;hydrochloride is sourced from PubChem (CID 139812454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).