N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine

C16H19FN2 — CID 62553754

IUPACN-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(C)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C16H19FN2/c1-13-6-8-16(9-7-13)19(2)11-10-18-15-5-3-4-14(17)12-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyXZLGUGXRHLXHCY-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.68
Rot. Bonds5

About N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine

N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 62553754) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID62553754
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(C)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C16H19FN2/c1-13-6-8-16(9-7-13)19(2)11-10-18-15-5-3-4-14(17)12-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyXZLGUGXRHLXHCY-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561317
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 55089867
N-(3-fluorophenyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560027
N-(3-fluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557336
N-(3-fluorophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62558790
N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine
CID 174466029
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine (CID 62553754) is N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(C)CCNc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is XZLGUGXRHLXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-13-6-8-16(9-7-13)19(2)11-10-18-15-5-3-4-14(17)12-15/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine?
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62553754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).