N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine

C13H20F2N2 — CID 115202122

IUPACN'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
SMILESCNCCCCNCCc1ccc(F)cc1F
InChIInChI=1S/C13H20F2N2/c1-16-7-2-3-8-17-9-6-11-4-5-12(14)10-13(11)15/h4-5,10,16-17H,2-3,6-9H2,1H3
InChIKeyZPINGPBGNIHWSX-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.10
Rot. Bonds8

About N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine

N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine (PubChem CID 115202122) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
PubChem CID115202122
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
SMILESCNCCCCNCCc1ccc(F)cc1F
InChIInChI=1S/C13H20F2N2/c1-16-7-2-3-8-17-9-6-11-4-5-12(14)10-13(11)15/h4-5,10,16-17H,2-3,6-9H2,1H3
InChIKeyZPINGPBGNIHWSX-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-difluorophenyl)ethylamino]propane-1-thiol
CID 115225126
4-[2-(2,4-difluorophenyl)ethylamino]butanenitrile
CID 115231929
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
2-[[2-(2,4-difluorophenyl)ethylamino]methyl]-3-methylbutanenitrile
CID 115254633
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
2,4-difluoro-1-pentylbenzene
CID 20770613
2-amino-4-[2-(2,4-difluorophenyl)ethylamino]butanoic acid
CID 115241335
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine?
The IUPAC name of N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine (CID 115202122) is N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine is CNCCCCNCCc1ccc(F)cc1F.
What is the InChIKey of N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine?
The InChIKey is ZPINGPBGNIHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-16-7-2-3-8-17-9-6-11-4-5-12(14)10-13(11)15/h4-5,10,16-17H,2-3,6-9H2,1H3.
What are the key properties of N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine?
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine is sourced from PubChem (CID 115202122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).