1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine

C25H24FNO2 — CID 1490769

IUPAC1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1C1=C(CN(C)C)[C@H](c2ccc(F)cc2)c2ccccc2O1
InChIInChI=1S/C25H24FNO2/c1-27(2)16-21-24(17-12-14-18(26)15-13-17)19-8-4-7-11-23(19)29-25(21)20-9-5-6-10-22(20)28-3/h4-15,24H,16H2,1-3H3/t24-/m1/s1
InChIKeyVZKUKPWZTPYYSF-XMMPIXPASA-N
MW389.47 g/mol
LogP5.33
Rot. Bonds5

About 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine

1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine (PubChem CID 1490769) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine
PubChem CID1490769
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1C1=C(CN(C)C)[C@H](c2ccc(F)cc2)c2ccccc2O1
InChIInChI=1S/C25H24FNO2/c1-27(2)16-21-24(17-12-14-18(26)15-13-17)19-8-4-7-11-23(19)29-25(21)20-9-5-6-10-22(20)28-3/h4-15,24H,16H2,1-3H3/t24-/m1/s1
InChIKeyVZKUKPWZTPYYSF-XMMPIXPASA-N
XLogP5.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium
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1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
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4-[[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl]morpholine
CID 3119771
4-[[(4S)-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl]morpholine
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[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium
CID 4249106
[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride
CID 2869420
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
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ethyl (1S,6R)-6-(4-fluorophenyl)-4-(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99801496
diethyl 3-(2-methoxyphenyl)-4,9b-dihydro-1H-cyclopenta[c]chromene-2,2-dicarboxylate
CID 102293136
2-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine (CID 1490769) is 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine is COc1ccccc1C1=C(CN(C)C)[C@H](c2ccc(F)cc2)c2ccccc2O1.
What is the InChIKey of 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is VZKUKPWZTPYYSF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24FNO2/c1-27(2)16-21-24(17-12-14-18(26)15-13-17)19-8-4-7-11-23(19)29-25(21)20-9-5-6-10-22(20)28-3/h4-15,24H,16H2,1-3H3/t24-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine?
1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 389.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 1490769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).