N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C13H17FN4 — CID 66118371

IUPACN-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCN(c1ccc(F)cc1)C(CN)c1cncn1C
InChIInChI=1S/C13H17FN4/c1-17-9-16-8-13(17)12(7-15)18(2)11-5-3-10(14)4-6-11/h3-6,8-9,12H,7,15H2,1-2H3
InChIKeyDATQYYKGQZDDTI-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.70
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66118371) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66118371
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC NameN-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCN(c1ccc(F)cc1)C(CN)c1cncn1C
InChIInChI=1S/C13H17FN4/c1-17-9-16-8-13(17)12(7-15)18(2)11-5-3-10(14)4-6-11/h3-6,8-9,12H,7,15H2,1-2H3
InChIKeyDATQYYKGQZDDTI-UHFFFAOYSA-N
XLogP1.70
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119609
N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822245
[2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264554
N'-[2-amino-1-(3-methylimidazol-4-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991893
N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134914
1-(4-chloro-2-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114843084
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
1-(3-chloro-5-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114453362
N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66117307
N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 82965069
1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 66140814

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66118371) is N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is CN(c1ccc(F)cc1)C(CN)c1cncn1C.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is DATQYYKGQZDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-17-9-16-8-13(17)12(7-15)18(2)11-5-3-10(14)4-6-11/h3-6,8-9,12H,7,15H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 248.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66118371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).