N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

C14H21NO2 — CID 64696643

IUPACN-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c(OC)cccc21
InChIInChI=1S/C14H21NO2/c1-5-15-11-9-14(2,3)17-13-10(11)7-6-8-12(13)16-4/h6-8,11,15H,5,9H2,1-4H3
InChIKeyMTECBFIMDNFQCQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds3

About N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 64696643) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID64696643
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c(OC)cccc21
InChIInChI=1S/C14H21NO2/c1-5-15-11-9-14(2,3)17-13-10(11)7-6-8-12(13)16-4/h6-8,11,15H,5,9H2,1-4H3
InChIKeyMTECBFIMDNFQCQ-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 64696643) is N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(C)Oc2c(OC)cccc21.
What is the InChIKey of N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is MTECBFIMDNFQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15-11-9-14(2,3)17-13-10(11)7-6-8-12(13)16-4/h6-8,11,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64696643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).