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

C20H24FNO3 — CID 20803605

IUPAC3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
SMILESCNc1ccc2c(c1)C(OC)C(OCc1ccc(F)cc1)C(C)(C)O2
InChIInChI=1S/C20H24FNO3/c1-20(2)19(24-12-13-5-7-14(21)8-6-13)18(23-4)16-11-15(22-3)9-10-17(16)25-20/h5-11,18-19,22H,12H2,1-4H3
InChIKeyPOXXFDNFPAMYDL-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.31
Rot. Bonds5

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

3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine (PubChem CID 20803605) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
PubChem CID20803605
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
SMILESCNc1ccc2c(c1)C(OC)C(OCc1ccc(F)cc1)C(C)(C)O2
InChIInChI=1S/C20H24FNO3/c1-20(2)19(24-12-13-5-7-14(21)8-6-13)18(23-4)16-11-15(22-3)9-10-17(16)25-20/h5-11,18-19,22H,12H2,1-4H3
InChIKeyPOXXFDNFPAMYDL-UHFFFAOYSA-N
XLogP4.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.31
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

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
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
4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804270
N,2,2-trimethyl-4-phenylmethoxy-3-prop-2-enoxy-3,4-dihydrochromen-6-amine
CID 11451044
N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804679
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
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-(naphthalen-2-ylmethoxy)-4-propan-2-yloxy-3,4-dihydrochromen-6-amine
CID 20804702
3-[(3-chlorophenyl)methoxy]-4-methoxy-2,2-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-6-amine
CID 20803493
N-benzyl-3-[(3-chlorophenyl)methoxy]-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804740

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine (CID 20803605) is 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine is CNc1ccc2c(c1)C(OC)C(OCc1ccc(F)cc1)C(C)(C)O2.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
The InChIKey is POXXFDNFPAMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-20(2)19(24-12-13-5-7-14(21)8-6-13)18(23-4)16-11-15(22-3)9-10-17(16)25-20/h5-11,18-19,22H,12H2,1-4H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine?
3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine has a molecular weight of 345.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine is sourced from PubChem (CID 20803605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).