1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine

C11H16F2N2 — CID 82284502

IUPAC1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(N)C(c1cc(F)ccc1F)N(C)C
InChIInChI=1S/C11H16F2N2/c1-7(14)11(15(2)3)9-6-8(12)4-5-10(9)13/h4-7,11H,14H2,1-3H3
InChIKeySWADWFRMNIBRQD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.91
Rot. Bonds3

About 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine

1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82284502) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82284502
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(N)C(c1cc(F)ccc1F)N(C)C
InChIInChI=1S/C11H16F2N2/c1-7(14)11(15(2)3)9-6-8(12)4-5-10(9)13/h4-7,11H,14H2,1-3H3
InChIKeySWADWFRMNIBRQD-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
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CID 130697354
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
CID 116848922
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
CID 22482376
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82284502) is 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(N)C(c1cc(F)ccc1F)N(C)C.
What is the InChIKey of 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is SWADWFRMNIBRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(14)11(15(2)3)9-6-8(12)4-5-10(9)13/h4-7,11H,14H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82284502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).