2-(1-adamantylmethylideneamino)-2-phenylethanol

C19H25NO — CID 91597147

IUPAC2-(1-adamantylmethylideneamino)-2-phenylethanol
SMILESOCC(/N=C/C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H25NO/c21-12-18(17-4-2-1-3-5-17)20-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,13-16,18,21H,6-12H2/b20-13+
InChIKeyYWDMFQDFTDMJPC-DEDYPNTBSA-N
MW283.41 g/mol
LogP4.01
Rot. Bonds4

About 2-(1-adamantylmethylideneamino)-2-phenylethanol

2-(1-adamantylmethylideneamino)-2-phenylethanol (PubChem CID 91597147) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(1-adamantylmethylideneamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(1-adamantylmethylideneamino)-2-phenylethanol
PubChem CID91597147
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(1-adamantylmethylideneamino)-2-phenylethanol
SMILESOCC(/N=C/C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H25NO/c21-12-18(17-4-2-1-3-5-17)20-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,13-16,18,21H,6-12H2/b20-13+
InChIKeyYWDMFQDFTDMJPC-DEDYPNTBSA-N
XLogP4.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethylideneamino)-2-phenylethanol?
The IUPAC name of 2-(1-adamantylmethylideneamino)-2-phenylethanol (CID 91597147) is 2-(1-adamantylmethylideneamino)-2-phenylethanol.
What is the SMILES notation for 2-(1-adamantylmethylideneamino)-2-phenylethanol?
The canonical SMILES for 2-(1-adamantylmethylideneamino)-2-phenylethanol is OCC(/N=C/C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of 2-(1-adamantylmethylideneamino)-2-phenylethanol?
The InChIKey is YWDMFQDFTDMJPC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25NO/c21-12-18(17-4-2-1-3-5-17)20-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,13-16,18,21H,6-12H2/b20-13+.
What are the key properties of 2-(1-adamantylmethylideneamino)-2-phenylethanol?
2-(1-adamantylmethylideneamino)-2-phenylethanol has a molecular weight of 283.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylideneamino)-2-phenylethanol is sourced from PubChem (CID 91597147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).