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

C27H29F2NO3 — CID 20804270

IUPAC4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
SMILESCCOC1c2cc(NCc3ccc(F)cc3)ccc2OC(C)(C)C1OCc1cccc(F)c1
InChIInChI=1S/C27H29F2NO3/c1-4-31-25-23-15-22(30-16-18-8-10-20(28)11-9-18)12-13-24(23)33-27(2,3)26(25)32-17-19-6-5-7-21(29)14-19/h5-15,25-26,30H,4,16-17H2,1-3H3
InChIKeyWSDIYZXNSCAKPZ-UHFFFAOYSA-N
MW453.53 g/mol
LogP6.41
Rot. Bonds8

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

4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine (PubChem CID 20804270) has the molecular formula C27H29F2NO3 and a molecular weight of 453.53 g/mol. Its IUPAC name is 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine.

Molecular Properties

Compound Name4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
PubChem CID20804270
Molecular FormulaC27H29F2NO3
Molecular Weight453.53 g/mol
Exact Mass453.21
IUPAC Name4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
SMILESCCOC1c2cc(NCc3ccc(F)cc3)ccc2OC(C)(C)C1OCc1cccc(F)c1
InChIInChI=1S/C27H29F2NO3/c1-4-31-25-23-15-22(30-16-18-8-10-20(28)11-9-18)12-13-24(23)33-27(2,3)26(25)32-17-19-6-5-7-21(29)14-19/h5-15,25-26,30H,4,16-17H2,1-3H3
InChIKeyWSDIYZXNSCAKPZ-UHFFFAOYSA-N
XLogP6.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.53
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chlorophenyl)methoxy]-4-ethoxy-N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20803482
4-ethoxy-N-[(3-fluorophenyl)methyl]-3-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804326
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
3-[(3-chlorophenyl)methoxy]-4-ethoxy-2,2-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-6-amine
CID 20803480
4-ethoxy-3-[(4-fluorophenyl)methoxy]-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
CID 20804275
N-[(3-fluorophenyl)methyl]-4-methoxy-2,2-dimethyl-3-[(4-methylphenyl)methoxy]-3,4-dihydrochromen-6-amine
CID 20804693
4-butoxy-N-[(4-tert-butylphenyl)methyl]-3-[(4-fluorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804145
N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804679
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-(naphthalen-2-ylmethoxy)-4-propan-2-yloxy-3,4-dihydrochromen-6-amine
CID 20804702
N-benzyl-3-[(4-tert-butylphenyl)methoxy]-2,2-dimethyl-4-phenylmethoxy-3,4-dihydrochromen-6-amine
CID 20804779
[4-ethoxy-6-[(4-fluorophenyl)methylamino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] thiophene-2-carboxylate
CID 20804293

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine?
The IUPAC name of 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine (CID 20804270) is 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine.
What is the SMILES notation for 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine?
The canonical SMILES for 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine is CCOC1c2cc(NCc3ccc(F)cc3)ccc2OC(C)(C)C1OCc1cccc(F)c1.
What is the InChIKey of 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine?
The InChIKey is WSDIYZXNSCAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2NO3/c1-4-31-25-23-15-22(30-16-18-8-10-20(28)11-9-18)12-13-24(23)33-27(2,3)26(25)32-17-19-6-5-7-21(29)14-19/h5-15,25-26,30H,4,16-17H2,1-3H3.
What are the key properties of 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine?
4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine has a molecular weight of 453.53 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine is sourced from PubChem (CID 20804270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).