N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine

C21H25F2N3 — CID 144929304

IUPACN-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C(NCCN(C)C)/C(=N\C)c1cc(-c2cccc(F)c2F)ccc1C
InChIInChI=1S/C21H25F2N3/c1-14-9-10-16(17-7-6-8-19(22)20(17)23)13-18(14)21(24-3)15(2)25-11-12-26(4)5/h6-10,13,25H,2,11-12H2,1,3-5H3/b24-21+
InChIKeyJHWKNYRJSLPDAB-DARPEHSRSA-N
MW357.45 g/mol
LogP4.02
Rot. Bonds7

About N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 144929304) has the molecular formula C21H25F2N3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID144929304
Molecular FormulaC21H25F2N3
Molecular Weight357.45 g/mol
Exact Mass357.20
IUPAC NameN-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESC=C(NCCN(C)C)/C(=N\C)c1cc(-c2cccc(F)c2F)ccc1C
InChIInChI=1S/C21H25F2N3/c1-14-9-10-16(17-7-6-8-19(22)20(17)23)13-18(14)21(24-3)15(2)25-11-12-26(4)5/h6-10,13,25H,2,11-12H2,1,3-5H3/b24-21+
InChIKeyJHWKNYRJSLPDAB-DARPEHSRSA-N
XLogP4.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 144929304) is N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine is C=C(NCCN(C)C)/C(=N\C)c1cc(-c2cccc(F)c2F)ccc1C.
What is the InChIKey of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JHWKNYRJSLPDAB-DARPEHSRSA-N. The full InChI is InChI=1S/C21H25F2N3/c1-14-9-10-16(17-7-6-8-19(22)20(17)23)13-18(14)21(24-3)15(2)25-11-12-26(4)5/h6-10,13,25H,2,11-12H2,1,3-5H3/b24-21+.
What are the key properties of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 357.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 144929304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).