1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine

C9H12F2N2 — CID 116932454

IUPAC1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCNCC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C9H12F2N2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9,13H,5,12H2,1H3
InChIKeyUCVAHULYVKAICA-UHFFFAOYSA-N
MW186.20 g/mol
LogP1.18
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine

1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 116932454) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID116932454
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCNCC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C9H12F2N2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9,13H,5,12H2,1H3
InChIKeyUCVAHULYVKAICA-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine (CID 116932454) is 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine is CNCC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is UCVAHULYVKAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4,9,13H,5,12H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 186.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116932454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).