(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol

C21H29NO2 — CID 8639511

IUPAC(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1
InChIInChI=1S/C21H29NO2/c1-16(23)17-9-11-18(12-10-17)21-14-13-20(24-21)15-22-19-7-5-3-2-4-6-8-19/h9-14,16,19,22-23H,2-8,15H2,1H3/t16-/m1/s1
InChIKeyVWNFXIXYDVFQRI-MRXNPFEDSA-N
MW327.47 g/mol
LogP5.20
Rot. Bonds5

About (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol

(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol (PubChem CID 8639511) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
PubChem CID8639511
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1
InChIInChI=1S/C21H29NO2/c1-16(23)17-9-11-18(12-10-17)21-14-13-20(24-21)15-22-19-7-5-3-2-4-6-8-19/h9-14,16,19,22-23H,2-8,15H2,1H3/t16-/m1/s1
InChIKeyVWNFXIXYDVFQRI-MRXNPFEDSA-N
XLogP5.20
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol (CID 8639511) is (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol is C[C@@H](O)c1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1.
What is the InChIKey of (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is VWNFXIXYDVFQRI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29NO2/c1-16(23)17-9-11-18(12-10-17)21-14-13-20(24-21)15-22-19-7-5-3-2-4-6-8-19/h9-14,16,19,22-23H,2-8,15H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol?
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 327.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 8639511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).