N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine

C10H14F2N2 — CID 115226993

IUPACN'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-13-7-14(2)6-8-3-4-9(11)10(12)5-8/h3-5,13H,6-7H2,1-2H3
InChIKeyQWOBXYUMTJWLGB-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.57
Rot. Bonds4

About N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine

N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine (PubChem CID 115226993) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
PubChem CID115226993
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-13-7-14(2)6-8-3-4-9(11)10(12)5-8/h3-5,13H,6-7H2,1-2H3
InChIKeyQWOBXYUMTJWLGB-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
N,N-dichloro-1-(3,4-difluorophenyl)methanamine
CID 102529861
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
N'-[(4-bromo-3-fluorophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 81436013
2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250906
1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653
3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 82930621
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
(E)-4-[(3,4-difluorophenyl)methyl-methylamino]but-2-enoic acid
CID 115237200
3-[(3,4-difluorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 82918323

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine (CID 115226993) is N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine is CNCN(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine?
The InChIKey is QWOBXYUMTJWLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-13-7-14(2)6-8-3-4-9(11)10(12)5-8/h3-5,13H,6-7H2,1-2H3.
What are the key properties of N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine?
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine has a molecular weight of 200.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).