cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium

C19H26NO2+ — CID 7425297

IUPACcyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
SMILESC[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1
InChIInChI=1S/C19H25NO2/c1-14(21)15-7-9-16(10-8-15)19-12-11-18(22-19)13-20-17-5-3-2-4-6-17/h7-12,14,17,20-21H,2-6,13H2,1H3/p+1/t14-/m0/s1
InChIKeyXYUDIGTVULNWDH-AWEZNQCLSA-O
MW300.42 g/mol
LogP3.40
Rot. Bonds5

About cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium

cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium (PubChem CID 7425297) has the molecular formula C19H26NO2+ and a molecular weight of 300.42 g/mol. Its IUPAC name is cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
PubChem CID7425297
Molecular FormulaC19H26NO2+
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Namecyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
SMILESC[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1
InChIInChI=1S/C19H25NO2/c1-14(21)15-7-9-16(10-8-15)19-12-11-18(22-19)13-20-17-5-3-2-4-6-17/h7-12,14,17,20-21H,2-6,13H2,1H3/p+1/t14-/m0/s1
InChIKeyXYUDIGTVULNWDH-AWEZNQCLSA-O
XLogP3.40
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
The IUPAC name of cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium (CID 7425297) is cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium.
What is the SMILES notation for cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
The canonical SMILES for cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium is C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1.
What is the InChIKey of cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
The InChIKey is XYUDIGTVULNWDH-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H25NO2/c1-14(21)15-7-9-16(10-8-15)19-12-11-18(22-19)13-20-17-5-3-2-4-6-17/h7-12,14,17,20-21H,2-6,13H2,1H3/p+1/t14-/m0/s1.
What are the key properties of cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium has a molecular weight of 300.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium is sourced from PubChem (CID 7425297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).