(1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol

C18H25NO — CID 10265221

IUPAC(1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol
SMILESCN(C)c1ccc(C23CC4C[C@H](C2)C(O)[C@@H](C4)C3)cc1
InChIInChI=1S/C18H25NO/c1-19(2)16-5-3-15(4-6-16)18-9-12-7-13(10-18)17(20)14(8-12)11-18/h3-6,12-14,17,20H,7-11H2,1-2H3/t12?,13-,14+,17?,18?
InChIKeyRIZFODOOGZWBOT-UOVUZOPOSA-N
MW271.40 g/mol
LogP3.19
Rot. Bonds2

About (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol

(1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol (PubChem CID 10265221) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol.

Molecular Properties

Compound Name(1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol
PubChem CID10265221
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol
SMILESCN(C)c1ccc(C23CC4C[C@H](C2)C(O)[C@@H](C4)C3)cc1
InChIInChI=1S/C18H25NO/c1-19(2)16-5-3-15(4-6-16)18-9-12-7-13(10-18)17(20)14(8-12)11-18/h3-6,12-14,17,20H,7-11H2,1-2H3/t12?,13-,14+,17?,18?
InChIKeyRIZFODOOGZWBOT-UOVUZOPOSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol?
The IUPAC name of (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol (CID 10265221) is (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol.
What is the SMILES notation for (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol?
The canonical SMILES for (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol is CN(C)c1ccc(C23CC4C[C@H](C2)C(O)[C@@H](C4)C3)cc1.
What is the InChIKey of (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol?
The InChIKey is RIZFODOOGZWBOT-UOVUZOPOSA-N. The full InChI is InChI=1S/C18H25NO/c1-19(2)16-5-3-15(4-6-16)18-9-12-7-13(10-18)17(20)14(8-12)11-18/h3-6,12-14,17,20H,7-11H2,1-2H3/t12?,13-,14+,17?,18?.
What are the key properties of (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol?
(1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-5-[4-(dimethylamino)phenyl]adamantan-2-ol is sourced from PubChem (CID 10265221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).