1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

C13H20F2N2 — CID 107513729

IUPAC1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2/c1-9-5-6-10(13(15)12(9)14)11(16-2)7-8-17(3)4/h5-6,11,16H,7-8H2,1-4H3
InChIKeyBADYQXKHRYKBSD-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 107513729) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID107513729
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2/c1-9-5-6-10(13(15)12(9)14)11(16-2)7-8-17(3)4/h5-6,11,16H,7-8H2,1-4H3
InChIKeyBADYQXKHRYKBSD-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 107513221
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 103395769
3-(2,6-difluoro-3-methylphenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259156
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 107513729) is 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is BADYQXKHRYKBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-9-5-6-10(13(15)12(9)14)11(16-2)7-8-17(3)4/h5-6,11,16H,7-8H2,1-4H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 107513729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).