1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol

C16H20ClNO2 — CID 111114453

IUPAC1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCC2=Cc3cc(Cl)ccc3OC2)CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-3-4-15-13(8-14)7-12(10-20-15)9-18-11-16(19)5-1-2-6-16/h3-4,7-8,18-19H,1-2,5-6,9-11H2
InChIKeyYTPDESYXTURTAI-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.01
Rot. Bonds4

About 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 111114453) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID111114453
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCC2=Cc3cc(Cl)ccc3OC2)CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-3-4-15-13(8-14)7-12(10-20-15)9-18-11-16(19)5-1-2-6-16/h3-4,7-8,18-19H,1-2,5-6,9-11H2
InChIKeyYTPDESYXTURTAI-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol (CID 111114453) is 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCC2=Cc3cc(Cl)ccc3OC2)CCCC1.
What is the InChIKey of 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is YTPDESYXTURTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-3-4-15-13(8-14)7-12(10-20-15)9-18-11-16(19)5-1-2-6-16/h3-4,7-8,18-19H,1-2,5-6,9-11H2.
What are the key properties of 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 293.79 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 111114453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).