(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol

C25H33NO2 — CID 8638925

IUPAC(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(-c2ccc(CNC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1
InChIInChI=1S/C25H33NO2/c1-17(27)19-4-6-20(7-5-19)22-9-8-21(28-22)13-26-25-12-18-10-23(2,15-25)14-24(3,11-18)16-25/h4-9,17-18,26-27H,10-16H2,1-3H3/t17-,18?,23-,24+,25?/m0/s1
InChIKeyGNTFXMRQTVULBW-RISBCKLPSA-N
MW379.54 g/mol
LogP5.84
Rot. Bonds5

About (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol

(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 8638925) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID8638925
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(-c2ccc(CNC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1
InChIInChI=1S/C25H33NO2/c1-17(27)19-4-6-20(7-5-19)22-9-8-21(28-22)13-26-25-12-18-10-23(2,15-25)14-24(3,11-18)16-25/h4-9,17-18,26-27H,10-16H2,1-3H3/t17-,18?,23-,24+,25?/m0/s1
InChIKeyGNTFXMRQTVULBW-RISBCKLPSA-N
XLogP5.84
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol with MolForge

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Related Compounds

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 17056154
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
CID 79997666
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
3-[[5-(4-bromophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216765
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
CID 17216751
3,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
CID 4719008
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol (CID 8638925) is (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol is C[C@H](O)c1ccc(-c2ccc(CNC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1.
What is the InChIKey of (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is GNTFXMRQTVULBW-RISBCKLPSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17(27)19-4-6-20(7-5-19)22-9-8-21(28-22)13-26-25-12-18-10-23(2,15-25)14-24(3,11-18)16-25/h4-9,17-18,26-27H,10-16H2,1-3H3/t17-,18?,23-,24+,25?/m0/s1.
What are the key properties of (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol?
(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 379.54 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 8638925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).