[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

C17H18ClNO2 — CID 59664219

IUPAC[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESCOc1ccccc1-c1cc(Cl)cc2c1O[C@@H](CN)CC2
InChIInChI=1S/C17H18ClNO2/c1-20-16-5-3-2-4-14(16)15-9-12(18)8-11-6-7-13(10-19)21-17(11)15/h2-5,8-9,13H,6-7,10,19H2,1H3/t13-/m1/s1
InChIKeyMKTATQWMOVBKQL-CYBMUJFWSA-N
MW303.79 g/mol
LogP3.67
Rot. Bonds3

About [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 59664219) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID59664219
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESCOc1ccccc1-c1cc(Cl)cc2c1O[C@@H](CN)CC2
InChIInChI=1S/C17H18ClNO2/c1-20-16-5-3-2-4-14(16)15-9-12(18)8-11-6-7-13(10-19)21-17(11)15/h2-5,8-9,13H,6-7,10,19H2,1H3/t13-/m1/s1
InChIKeyMKTATQWMOVBKQL-CYBMUJFWSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 59664219) is [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is COc1ccccc1-c1cc(Cl)cc2c1O[C@@H](CN)CC2.
What is the InChIKey of [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is MKTATQWMOVBKQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-20-16-5-3-2-4-14(16)15-9-12(18)8-11-6-7-13(10-19)21-17(11)15/h2-5,8-9,13H,6-7,10,19H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 303.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 59664219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).