2-amino-4,6-dicyclohexylphenol

C18H27NO — CID 139812455

IUPAC2-amino-4,6-dicyclohexylphenol
SMILESNc1cc(C2CCCCC2)cc(C2CCCCC2)c1O
InChIInChI=1S/C18H27NO/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
InChIKeyHHOSASPTUXYRMW-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.07
Rot. Bonds2

About 2-amino-4,6-dicyclohexylphenol

2-amino-4,6-dicyclohexylphenol (PubChem CID 139812455) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-amino-4,6-dicyclohexylphenol.

Molecular Properties

Compound Name2-amino-4,6-dicyclohexylphenol
PubChem CID139812455
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-amino-4,6-dicyclohexylphenol
SMILESNc1cc(C2CCCCC2)cc(C2CCCCC2)c1O
InChIInChI=1S/C18H27NO/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
InChIKeyHHOSASPTUXYRMW-UHFFFAOYSA-N
XLogP5.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.07
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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Related Compounds

2-amino-4,6-dicyclohexylphenol;hydrochloride
CID 139812454
2,6-diamino-4-cyclohexylphenol
CID 12501819
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
4-amino-2,6-dicyclohexylphenol
CID 18959879
2-amino-4-[2-(3-amino-5-cyclohexyl-4-hydroxyphenyl)propan-2-yl]-6-cyclohexylphenol
CID 89171248
3-amino-5-cyclohexyl-2-methylphenol
CID 151494834
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886
1,3,5-tricyclopentylbenzene
CID 611596
4-cyclooctyl-2,6-difluorophenol
CID 151133055
CID 91016004
CID 91016004
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
chloro-bis(2,4,6-tricyclohexylphenyl)phosphane
CID 102375057

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dicyclohexylphenol?
The IUPAC name of 2-amino-4,6-dicyclohexylphenol (CID 139812455) is 2-amino-4,6-dicyclohexylphenol.
What is the SMILES notation for 2-amino-4,6-dicyclohexylphenol?
The canonical SMILES for 2-amino-4,6-dicyclohexylphenol is Nc1cc(C2CCCCC2)cc(C2CCCCC2)c1O.
What is the InChIKey of 2-amino-4,6-dicyclohexylphenol?
The InChIKey is HHOSASPTUXYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/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.
What are the key properties of 2-amino-4,6-dicyclohexylphenol?
2-amino-4,6-dicyclohexylphenol has a molecular weight of 273.42 g/mol, XLogP of 5.07, 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 is sourced from PubChem (CID 139812455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).