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

C20H23NO2 — CID 97231646

IUPAC[3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1
InChIInChI=1S/C20H23NO2/c22-14-16-6-3-5-15(11-16)13-21-18-12-20(9-4-10-20)23-19-8-2-1-7-17(18)19/h1-3,5-8,11,18,21-22H,4,9-10,12-14H2/t18-/m0/s1
InChIKeyNUAKBEGJOSRDTR-SFHVURJKSA-N
MW309.41 g/mol
LogP3.71
Rot. Bonds4

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

[3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol (PubChem CID 97231646) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
PubChem CID97231646
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1
InChIInChI=1S/C20H23NO2/c22-14-16-6-3-5-15(11-16)13-21-18-12-20(9-4-10-20)23-19-8-2-1-7-17(18)19/h1-3,5-8,11,18,21-22H,4,9-10,12-14H2/t18-/m0/s1
InChIKeyNUAKBEGJOSRDTR-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 [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol (CID 97231646) is [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol is OCc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1.
What is the InChIKey of [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
The InChIKey is NUAKBEGJOSRDTR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO2/c22-14-16-6-3-5-15(11-16)13-21-18-12-20(9-4-10-20)23-19-8-2-1-7-17(18)19/h1-3,5-8,11,18,21-22H,4,9-10,12-14H2/t18-/m0/s1.
What are the key properties of [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol?
[3-[[[(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 [3-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 97231646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).