(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol

C16H15ClFNO2 — CID 25010103

IUPAC(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol
SMILESNC[C@H]1CCc2cc(F)c(O)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-12-4-2-1-3-11(12)14-15(20)13(18)7-9-5-6-10(8-19)21-16(9)14/h1-4,7,10,20H,5-6,8,19H2/t10-/m1/s1
InChIKeyQYYKOEQKFUAJRP-SNVBAGLBSA-N
MW307.75 g/mol
LogP3.50
Rot. Bonds2

About (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol

(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol (PubChem CID 25010103) 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-7-ol.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol
PubChem CID25010103
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-7-ol
SMILESNC[C@H]1CCc2cc(F)c(O)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-12-4-2-1-3-11(12)14-15(20)13(18)7-9-5-6-10(8-19)21-16(9)14/h1-4,7,10,20H,5-6,8,19H2/t10-/m1/s1
InChIKeyQYYKOEQKFUAJRP-SNVBAGLBSA-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-7-ol?
The IUPAC name of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol (CID 25010103) is (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol is NC[C@H]1CCc2cc(F)c(O)c(-c3ccccc3Cl)c2O1.
What is the InChIKey of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is QYYKOEQKFUAJRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-12-4-2-1-3-11(12)14-15(20)13(18)7-9-5-6-10(8-19)21-16(9)14/h1-4,7,10,20H,5-6,8,19H2/t10-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol?
(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-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-7-ol is sourced from PubChem (CID 25010103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).