N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine

C17H25FN4O — CID 135097116

IUPACN'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(F)ccc1CN(CCN(C)C)Cc1cnc(C)[nH]1
InChIInChI=1S/C17H25FN4O/c1-13-19-10-16(20-13)12-22(8-7-21(2)3)11-14-5-6-15(18)9-17(14)23-4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,19,20)
InChIKeyHYAWNIKYWFITKA-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds8

About N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine

N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 135097116) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID135097116
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(F)ccc1CN(CCN(C)C)Cc1cnc(C)[nH]1
InChIInChI=1S/C17H25FN4O/c1-13-19-10-16(20-13)12-22(8-7-21(2)3)11-14-5-6-15(18)9-17(14)23-4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,19,20)
InChIKeyHYAWNIKYWFITKA-UHFFFAOYSA-N
XLogP2.43
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine (CID 135097116) is N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine is COc1cc(F)ccc1CN(CCN(C)C)Cc1cnc(C)[nH]1.
What is the InChIKey of N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is HYAWNIKYWFITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-13-19-10-16(20-13)12-22(8-7-21(2)3)11-14-5-6-15(18)9-17(14)23-4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,19,20).
What are the key properties of N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 320.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 135097116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).