1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine

C22H29NO2 — CID 73333527

IUPAC1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCCc1ccccc1)CCC(C)(C)O2
InChIInChI=1S/C22H29NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-9,14-16,23H,10-13H2,1-4H3
InChIKeyYXNHQCHFNKNFBR-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.69
Rot. Bonds6

About 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine

1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine (PubChem CID 73333527) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine
PubChem CID73333527
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCCc1ccccc1)CCC(C)(C)O2
InChIInChI=1S/C22H29NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-9,14-16,23H,10-13H2,1-4H3
InChIKeyYXNHQCHFNKNFBR-UHFFFAOYSA-N
XLogP4.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine?
The IUPAC name of 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine (CID 73333527) is 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine is COc1cc2c(cc1C(C)NCCc1ccccc1)CCC(C)(C)O2.
What is the InChIKey of 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine?
The InChIKey is YXNHQCHFNKNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-9,14-16,23H,10-13H2,1-4H3.
What are the key properties of 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine?
1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine has a molecular weight of 339.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 73333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).