(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine

C22H27NO2 — CID 72547482

IUPAC(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine
SMILESCOc1cc2c(cc1[C@@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C22H27NO2/c1-16(23(4)15-17-9-7-6-8-10-17)19-13-18-11-12-22(2,3)25-20(18)14-21(19)24-5/h6-14,16H,15H2,1-5H3/t16-/m1/s1
InChIKeyZWPBDGYOXWSANE-MRXNPFEDSA-N
MW337.46 g/mol
LogP5.07
Rot. Bonds5

About (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine

(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine (PubChem CID 72547482) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine
PubChem CID72547482
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine
SMILESCOc1cc2c(cc1[C@@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C22H27NO2/c1-16(23(4)15-17-9-7-6-8-10-17)19-13-18-11-12-22(2,3)25-20(18)14-21(19)24-5/h6-14,16H,15H2,1-5H3/t16-/m1/s1
InChIKeyZWPBDGYOXWSANE-MRXNPFEDSA-N
XLogP5.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine?
The IUPAC name of (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine (CID 72547482) is (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine?
The canonical SMILES for (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine is COc1cc2c(cc1[C@@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine?
The InChIKey is ZWPBDGYOXWSANE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(23(4)15-17-9-7-6-8-10-17)19-13-18-11-12-22(2,3)25-20(18)14-21(19)24-5/h6-14,16H,15H2,1-5H3/t16-/m1/s1.
What are the key properties of (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine?
(1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine has a molecular weight of 337.46 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-methylethanamine is sourced from PubChem (CID 72547482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).