1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine

C26H27NO3 — CID 3456540

IUPAC1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(C2=C(CN(C)C)C(c3ccccc3)c3ccccc3O2)cc1OC
InChIInChI=1S/C26H27NO3/c1-27(2)17-21-25(18-10-6-5-7-11-18)20-12-8-9-13-22(20)30-26(21)19-14-15-23(28-3)24(16-19)29-4/h5-16,25H,17H2,1-4H3
InChIKeyLZZCQGRDBHQTFA-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.20
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine

1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine (PubChem CID 3456540) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
PubChem CID3456540
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(C2=C(CN(C)C)C(c3ccccc3)c3ccccc3O2)cc1OC
InChIInChI=1S/C26H27NO3/c1-27(2)17-21-25(18-10-6-5-7-11-18)20-12-8-9-13-22(20)30-26(21)19-14-15-23(28-3)24(16-19)29-4/h5-16,25H,17H2,1-4H3
InChIKeyLZZCQGRDBHQTFA-UHFFFAOYSA-N
XLogP5.20
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine (CID 3456540) is 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine is COc1ccc(C2=C(CN(C)C)C(c3ccccc3)c3ccccc3O2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is LZZCQGRDBHQTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-27(2)17-21-25(18-10-6-5-7-11-18)20-12-8-9-13-22(20)30-26(21)19-14-15-23(28-3)24(16-19)29-4/h5-16,25H,17H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine?
1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 401.51 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3456540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).