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

C20H24FNO3 — CID 20804679

IUPACN-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
SMILESCOC1c2cc(NCc3cccc(F)c3)ccc2OC(C)(C)C1OC
InChIInChI=1S/C20H24FNO3/c1-20(2)19(24-4)18(23-3)16-11-15(8-9-17(16)25-20)22-12-13-6-5-7-14(21)10-13/h5-11,18-19,22H,12H2,1-4H3
InChIKeyRKZOTVXLFLLJPN-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.31
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine (PubChem CID 20804679) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
PubChem CID20804679
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
SMILESCOC1c2cc(NCc3cccc(F)c3)ccc2OC(C)(C)C1OC
InChIInChI=1S/C20H24FNO3/c1-20(2)19(24-4)18(23-3)16-11-15(8-9-17(16)25-20)22-12-13-6-5-7-14(21)10-13/h5-11,18-19,22H,12H2,1-4H3
InChIKeyRKZOTVXLFLLJPN-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-N-[(3-fluorophenyl)methyl]-3-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804326
N-[(3-fluorophenyl)methyl]-4-methoxy-2,2-dimethyl-3-[(4-methylphenyl)methoxy]-3,4-dihydrochromen-6-amine
CID 20804693
4-butoxy-N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-prop-2-enoxy-3,4-dihydrochromen-6-amine
CID 20803637
4-ethoxy-3-[(3-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804270
3-[(3-chlorophenyl)methoxy]-4-ethoxy-N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20803482
N-benzyl-3-methoxy-2,2-dimethyl-4-(2-phenylethoxy)-3,4-dihydrochromen-6-amine
CID 20804768
N-benzyl-3-[(3-chlorophenyl)methoxy]-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804740
4-ethoxy-3-methoxy-2,2-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-6-amine
CID 20804281
4-ethoxy-3-methoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804283
3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
CID 20803605
N-benzyl-4-butoxy-3-[(4-fluorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromen-6-amine
CID 20804802
3-[(E)-but-2-enoxy]-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-4-(2-phenylethoxy)-3,4-dihydrochromen-6-amine
CID 20803778

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine (CID 20804679) is N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine is COC1c2cc(NCc3cccc(F)c3)ccc2OC(C)(C)C1OC.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine?
The InChIKey is RKZOTVXLFLLJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-20(2)19(24-4)18(23-3)16-11-15(8-9-17(16)25-20)22-12-13-6-5-7-14(21)10-13/h5-11,18-19,22H,12H2,1-4H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine?
N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-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 N-[(3-fluorophenyl)methyl]-3,4-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-amine is sourced from PubChem (CID 20804679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).