4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine

C21H26FNO3 — CID 20804275

IUPAC4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
SMILESCCOC1c2cc(NC)ccc2OC(C)(C)C1OCc1ccc(F)cc1
InChIInChI=1S/C21H26FNO3/c1-5-24-19-17-12-16(23-4)10-11-18(17)26-21(2,3)20(19)25-13-14-6-8-15(22)9-7-14/h6-12,19-20,23H,5,13H2,1-4H3
InChIKeyOANASMURROQTCC-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.70
Rot. Bonds6

About 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine

4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine (PubChem CID 20804275) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine.

Molecular Properties

Compound Name4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
PubChem CID20804275
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
SMILESCCOC1c2cc(NC)ccc2OC(C)(C)C1OCc1ccc(F)cc1
InChIInChI=1S/C21H26FNO3/c1-5-24-19-17-12-16(23-4)10-11-18(17)26-21(2,3)20(19)25-13-14-6-8-15(22)9-7-14/h6-12,19-20,23H,5,13H2,1-4H3
InChIKeyOANASMURROQTCC-UHFFFAOYSA-N
XLogP4.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
CID 20803605
4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804270
4-ethoxy-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-prop-2-enoxy-3,4-dihydrochromen-6-amine
CID 20803646
N-benzyl-4-butoxy-3-[(4-fluorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804802
4-butoxy-N-[(4-tert-butylphenyl)methyl]-3-[(4-fluorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804145
(3S,4R)-3-[(3-chlorophenyl)methoxy]-N,2,2-trimethyl-4-phenylmethoxy-3,4-dihydrochromen-6-amine
CID 11984586
3-[(3-chlorophenyl)methoxy]-4-ethoxy-N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20803482
[4-ethoxy-2,2-dimethyl-6-(methylamino)-3,4-dihydrochromen-3-yl] 3-methylbut-2-enoate
CID 20804242
4-ethoxy-N-[(3-fluorophenyl)methyl]-3-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804326
[4-ethoxy-6-[(4-fluorophenyl)methylamino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] thiophene-2-carboxylate
CID 20804293
4-ethoxy-3-methoxy-2,2-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-6-amine
CID 20804281
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-4-propan-2-yloxy-3,4-dihydrochromen-6-amine
CID 20803464

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
The IUPAC name of 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine (CID 20804275) is 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine.
What is the SMILES notation for 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
The canonical SMILES for 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine is CCOC1c2cc(NC)ccc2OC(C)(C)C1OCc1ccc(F)cc1.
What is the InChIKey of 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
The InChIKey is OANASMURROQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-5-24-19-17-12-16(23-4)10-11-18(17)26-21(2,3)20(19)25-13-14-6-8-15(22)9-7-14/h6-12,19-20,23H,5,13H2,1-4H3.
What are the key properties of 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine has a molecular weight of 359.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine is sourced from PubChem (CID 20804275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).