[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol

C20H23NO2 — CID 97080014

IUPAC[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1ccccc1CN[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C20H23NO2/c22-14-16-7-2-1-6-15(16)13-21-18-12-20(10-5-11-20)23-19-9-4-3-8-17(18)19/h1-4,6-9,18,21-22H,5,10-14H2/t18-/m0/s1
InChIKeyJKDZLIYHLXSSKF-SFHVURJKSA-N
MW309.41 g/mol
LogP3.71
Rot. Bonds4

About [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol

[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol (PubChem CID 97080014) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
PubChem CID97080014
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1ccccc1CN[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C20H23NO2/c22-14-16-7-2-1-6-15(16)13-21-18-12-20(10-5-11-20)23-19-9-4-3-8-17(18)19/h1-4,6-9,18,21-22H,5,10-14H2/t18-/m0/s1
InChIKeyJKDZLIYHLXSSKF-SFHVURJKSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol (CID 97080014) is [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol is OCc1ccccc1CN[C@H]1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
The InChIKey is JKDZLIYHLXSSKF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO2/c22-14-16-7-2-1-6-15(16)13-21-18-12-20(10-5-11-20)23-19-9-4-3-8-17(18)19/h1-4,6-9,18,21-22H,5,10-14H2/t18-/m0/s1.
What are the key properties of [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol has a molecular weight of 309.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 97080014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).