1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine

C14H22F2N2 — CID 116960347

IUPAC1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1ccc(F)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-9(2)11(8-17-3)14(18-4)10-5-6-12(15)13(16)7-10/h5-7,9,11,14,17-18H,8H2,1-4H3
InChIKeyVGMYUXAZTKOECT-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.72
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine

1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960347) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960347
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1ccc(F)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-9(2)11(8-17-3)14(18-4)10-5-6-12(15)13(16)7-10/h5-7,9,11,14,17-18H,8H2,1-4H3
InChIKeyVGMYUXAZTKOECT-UHFFFAOYSA-N
XLogP2.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960337
1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949581
1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 116932454
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
CID 79746964
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 116960347) is 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(NC)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VGMYUXAZTKOECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-9(2)11(8-17-3)14(18-4)10-5-6-12(15)13(16)7-10/h5-7,9,11,14,17-18H,8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.72, 6 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,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).