N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine

C15H18FN3 — CID 61413578

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCN(Cc1ccc(F)cc1)C(CN)c1cccnc1
InChIInChI=1S/C15H18FN3/c1-19(11-12-4-6-14(16)7-5-12)15(9-17)13-3-2-8-18-10-13/h2-8,10,15H,9,11,17H2,1H3
InChIKeyHCQLNFAGJLIHLE-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 61413578) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
PubChem CID61413578
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCN(Cc1ccc(F)cc1)C(CN)c1cccnc1
InChIInChI=1S/C15H18FN3/c1-19(11-12-4-6-14(16)7-5-12)15(9-17)13-3-2-8-18-10-13/h2-8,10,15H,9,11,17H2,1H3
InChIKeyHCQLNFAGJLIHLE-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 114453263
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106817297
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine (CID 61413578) is N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine is CN(Cc1ccc(F)cc1)C(CN)c1cccnc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is HCQLNFAGJLIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19(11-12-4-6-14(16)7-5-12)15(9-17)13-3-2-8-18-10-13/h2-8,10,15H,9,11,17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 259.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 61413578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).