N'-[2-(2,4-difluorophenyl)ethyl]methanediamine

C9H12F2N2 — CID 115226055

IUPACN'-[2-(2,4-difluorophenyl)ethyl]methanediamine
SMILESNCNCCc1ccc(F)cc1F
InChIInChI=1S/C9H12F2N2/c10-8-2-1-7(9(11)5-8)3-4-13-6-12/h1-2,5,13H,3-4,6,12H2
InChIKeyVTMMXWXTIULKGH-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.01
Rot. Bonds4

About N'-[2-(2,4-difluorophenyl)ethyl]methanediamine

N'-[2-(2,4-difluorophenyl)ethyl]methanediamine (PubChem CID 115226055) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)ethyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenyl)ethyl]methanediamine
PubChem CID115226055
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN'-[2-(2,4-difluorophenyl)ethyl]methanediamine
SMILESNCNCCc1ccc(F)cc1F
InChIInChI=1S/C9H12F2N2/c10-8-2-1-7(9(11)5-8)3-4-13-6-12/h1-2,5,13H,3-4,6,12H2
InChIKeyVTMMXWXTIULKGH-UHFFFAOYSA-N
XLogP1.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
3-[2-(2,4-difluorophenyl)ethylamino]propane-1-thiol
CID 115225126
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
4-[2-(2,4-difluorophenyl)ethylamino]butanenitrile
CID 115231929
2-amino-4-[2-(2,4-difluorophenyl)ethylamino]butanoic acid
CID 115241335
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
2-[[2-(2,4-difluorophenyl)ethylamino]methyl]-3-methylbutanenitrile
CID 115254633

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)ethyl]methanediamine?
The IUPAC name of N'-[2-(2,4-difluorophenyl)ethyl]methanediamine (CID 115226055) is N'-[2-(2,4-difluorophenyl)ethyl]methanediamine.
What is the SMILES notation for N'-[2-(2,4-difluorophenyl)ethyl]methanediamine?
The canonical SMILES for N'-[2-(2,4-difluorophenyl)ethyl]methanediamine is NCNCCc1ccc(F)cc1F.
What is the InChIKey of N'-[2-(2,4-difluorophenyl)ethyl]methanediamine?
The InChIKey is VTMMXWXTIULKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-8-2-1-7(9(11)5-8)3-4-13-6-12/h1-2,5,13H,3-4,6,12H2.
What are the key properties of N'-[2-(2,4-difluorophenyl)ethyl]methanediamine?
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine has a molecular weight of 186.21 g/mol, XLogP of 1.01, 4 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]methanediamine is sourced from PubChem (CID 115226055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).