N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine

C15H17ClFN3 — CID 68761252

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
SMILESCc1cnccc1NCCNCc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3/c1-11-9-18-5-4-15(11)20-7-6-19-10-12-2-3-13(17)8-14(12)16/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,20)
InChIKeyDZTJKWATMQWCPP-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.38
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine

N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine (PubChem CID 68761252) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
PubChem CID68761252
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
SMILESCc1cnccc1NCCNCc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3/c1-11-9-18-5-4-15(11)20-7-6-19-10-12-2-3-13(17)8-14(12)16/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,20)
InChIKeyDZTJKWATMQWCPP-UHFFFAOYSA-N
XLogP3.38
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 124753177
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
CID 131951543
4-[(2-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 64913736
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine (CID 68761252) is N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine is Cc1cnccc1NCCNCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is DZTJKWATMQWCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-11-9-18-5-4-15(11)20-7-6-19-10-12-2-3-13(17)8-14(12)16/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine has a molecular weight of 293.77 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 68761252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).