N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

C15H18FN3 — CID 104822245

IUPACN-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3/c1-11-3-4-12(10-18-11)15(9-17)19(2)14-7-5-13(16)6-8-14/h3-8,10,15H,9,17H2,1-2H3
InChIKeyGALZTKPYOCCOSP-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.67
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 104822245) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID104822245
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3/c1-11-3-4-12(10-18-11)15(9-17)19(2)14-7-5-13(16)6-8-14/h3-8,10,15H,9,17H2,1-2H3
InChIKeyGALZTKPYOCCOSP-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 62132256
N-methyl-N-(3-methylbutyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822189
1-(3-chloro-5-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114453362
N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118371
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 104822388
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090
N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992123

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (CID 104822245) is N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)c2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is GALZTKPYOCCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-3-4-12(10-18-11)15(9-17)19(2)14-7-5-13(16)6-8-14/h3-8,10,15H,9,17H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 259.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 104822245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).