2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one

C26H25NO3 — CID 144577684

IUPAC2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one
SMILESCc1c(CCc2cccc(N)c2)oc2c(C)c(OCc3ccccc3)ccc2c1=O
InChIInChI=1S/C26H25NO3/c1-17-24(13-11-19-9-6-10-21(27)15-19)30-26-18(2)23(14-12-22(26)25(17)28)29-16-20-7-4-3-5-8-20/h3-10,12,14-15H,11,13,16,27H2,1-2H3
InChIKeyMCVWZSGOZASSFA-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.36
Rot. Bonds6

About 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one

2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one (PubChem CID 144577684) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one
PubChem CID144577684
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one
SMILESCc1c(CCc2cccc(N)c2)oc2c(C)c(OCc3ccccc3)ccc2c1=O
InChIInChI=1S/C26H25NO3/c1-17-24(13-11-19-9-6-10-21(27)15-19)30-26-18(2)23(14-12-22(26)25(17)28)29-16-20-7-4-3-5-8-20/h3-10,12,14-15H,11,13,16,27H2,1-2H3
InChIKeyMCVWZSGOZASSFA-UHFFFAOYSA-N
XLogP5.36
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
[7,8-dimethoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-oxochromen-3-yl] hypobromite
CID 68975076
3-bromo-2-ethyl-8-methyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-4-one
CID 57379959
8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one
CID 2064053
2-(iodomethyl)-8-methyl-3-phenylmethoxychromen-4-one
CID 54383145
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830
2-(4-benzhydrylpiperazin-1-yl)-8-methyl-7-phenylmethoxychromen-4-one
CID 21460035
ethyl 2-[(4,8-dimethyl-2-oxo-7-phenylmethoxychromen-3-yl)amino]acetate
CID 102381033
3-methoxy-4-phenylmethoxyaniline
CID 27226
3-[4,8-dimethyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]propanoic acid
CID 71462562
2-[4-(1-hydroxyethyl)piperazin-1-yl]-8-methyl-7-phenylmethoxychromen-4-one
CID 70052666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one (CID 144577684) is 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one is Cc1c(CCc2cccc(N)c2)oc2c(C)c(OCc3ccccc3)ccc2c1=O.
What is the InChIKey of 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one?
The InChIKey is MCVWZSGOZASSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-17-24(13-11-19-9-6-10-21(27)15-19)30-26-18(2)23(14-12-22(26)25(17)28)29-16-20-7-4-3-5-8-20/h3-10,12,14-15H,11,13,16,27H2,1-2H3.
What are the key properties of 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one?
2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one has a molecular weight of 399.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 144577684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).