N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine

C16H23NO2 — CID 73333432

IUPACN-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
SMILESCCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2
InChIInChI=1S/C16H23NO2/c1-6-17-11(2)13-9-12-7-8-16(3,4)19-14(12)10-15(13)18-5/h7-11,17H,6H2,1-5H3
InChIKeyXQFPFHVZDSXBPM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.55
Rot. Bonds4

About N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine

N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine (PubChem CID 73333432) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
PubChem CID73333432
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
SMILESCCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2
InChIInChI=1S/C16H23NO2/c1-6-17-11(2)13-9-12-7-8-16(3,4)19-14(12)10-15(13)18-5/h7-11,17H,6H2,1-5H3
InChIKeyXQFPFHVZDSXBPM-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
The IUPAC name of N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine (CID 73333432) is N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine is CCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2.
What is the InChIKey of N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
The InChIKey is XQFPFHVZDSXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-17-11(2)13-9-12-7-8-16(3,4)19-14(12)10-15(13)18-5/h7-11,17H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine is sourced from PubChem (CID 73333432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).