(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol

C16H15ClFNO2 — CID 25010104

IUPAC(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol
SMILESNC[C@H]1CCc2c(O)c(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-13-4-2-1-3-10(13)12-7-14(18)15(20)11-6-5-9(8-19)21-16(11)12/h1-4,7,9,20H,5-6,8,19H2/t9-/m1/s1
InChIKeyWRWVMFOBEGIJHK-SECBINFHSA-N
MW307.75 g/mol
LogP3.50
Rot. Bonds2

About (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol

(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol (PubChem CID 25010104) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol
PubChem CID25010104
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol
SMILESNC[C@H]1CCc2c(O)c(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-13-4-2-1-3-10(13)12-7-14(18)15(20)11-6-5-9(8-19)21-16(11)12/h1-4,7,9,20H,5-6,8,19H2/t9-/m1/s1
InChIKeyWRWVMFOBEGIJHK-SECBINFHSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol (CID 25010104) is (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol is NC[C@H]1CCc2c(O)c(F)cc(-c3ccccc3Cl)c2O1.
What is the InChIKey of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is WRWVMFOBEGIJHK-SECBINFHSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-13-4-2-1-3-10(13)12-7-14(18)15(20)11-6-5-9(8-19)21-16(11)12/h1-4,7,9,20H,5-6,8,19H2/t9-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol?
(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 307.75 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 25010104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).