N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine

C21H25FN2O2 — CID 122501742

IUPACN-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CNCCN(C)C)CO2
InChIInChI=1S/C21H25FN2O2/c1-24(2)11-10-23-13-16-14-26-20-9-8-18(25-3)12-19(20)21(16)15-4-6-17(22)7-5-15/h4-9,12,23H,10-11,13-14H2,1-3H3
InChIKeyOOFQSZDKQGPSDJ-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.18
Rot. Bonds7

About N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 122501742) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID122501742
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CNCCN(C)C)CO2
InChIInChI=1S/C21H25FN2O2/c1-24(2)11-10-23-13-16-14-26-20-9-8-18(25-3)12-19(20)21(16)15-4-6-17(22)7-5-15/h4-9,12,23H,10-11,13-14H2,1-3H3
InChIKeyOOFQSZDKQGPSDJ-UHFFFAOYSA-N
XLogP3.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 122501742) is N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine is COc1ccc2c(c1)C(c1ccc(F)cc1)=C(CNCCN(C)C)CO2.
What is the InChIKey of N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OOFQSZDKQGPSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-24(2)11-10-23-13-16-14-26-20-9-8-18(25-3)12-19(20)21(16)15-4-6-17(22)7-5-15/h4-9,12,23H,10-11,13-14H2,1-3H3.
What are the key properties of N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 356.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 122501742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).