(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine

C12H16ClNO2 — CID 165453533

IUPAC(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESCOc1cc(Cl)cc2c1OCC([C@@H](C)N)C2
InChIInChI=1S/C12H16ClNO2/c1-7(14)9-3-8-4-10(13)5-11(15-2)12(8)16-6-9/h4-5,7,9H,3,6,14H2,1-2H3/t7-,9?/m1/s1
InChIKeyDYMRJLAMFPFMFO-YOXFSPIKSA-N
MW241.72 g/mol
LogP2.25
Rot. Bonds2

About (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine

(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine (PubChem CID 165453533) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine
PubChem CID165453533
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESCOc1cc(Cl)cc2c1OCC([C@@H](C)N)C2
InChIInChI=1S/C12H16ClNO2/c1-7(14)9-3-8-4-10(13)5-11(15-2)12(8)16-6-9/h4-5,7,9H,3,6,14H2,1-2H3/t7-,9?/m1/s1
InChIKeyDYMRJLAMFPFMFO-YOXFSPIKSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The IUPAC name of (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine (CID 165453533) is (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine is COc1cc(Cl)cc2c1OCC([C@@H](C)N)C2.
What is the InChIKey of (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The InChIKey is DYMRJLAMFPFMFO-YOXFSPIKSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(14)9-3-8-4-10(13)5-11(15-2)12(8)16-6-9/h4-5,7,9H,3,6,14H2,1-2H3/t7-,9?/m1/s1.
What are the key properties of (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine?
(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine is sourced from PubChem (CID 165453533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).