[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol

C18H18ClNO2 — CID 110922653

IUPAC[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccccc1CNCC1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H18ClNO2/c19-17-5-6-18-16(8-17)7-13(12-22-18)9-20-10-14-3-1-2-4-15(14)11-21/h1-8,20-21H,9-12H2
InChIKeyXIAQFXQWEWACBD-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.40
Rot. Bonds5

About [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol

[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol (PubChem CID 110922653) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol
PubChem CID110922653
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccccc1CNCC1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H18ClNO2/c19-17-5-6-18-16(8-17)7-13(12-22-18)9-20-10-14-3-1-2-4-15(14)11-21/h1-8,20-21H,9-12H2
InChIKeyXIAQFXQWEWACBD-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol (CID 110922653) is [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol is OCc1ccccc1CNCC1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is XIAQFXQWEWACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-17-5-6-18-16(8-17)7-13(12-22-18)9-20-10-14-3-1-2-4-15(14)11-21/h1-8,20-21H,9-12H2.
What are the key properties of [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol?
[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 315.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 110922653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).