1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

C17H28F2N2 — CID 107513554

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H28F2N2/c1-7-17(5,21(8-2)9-3)16(20-6)13-11-10-12(4)14(18)15(13)19/h10-11,16,20H,7-9H2,1-6H3
InChIKeyNRZJAROLLGGUSZ-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.04
Rot. Bonds7

About 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (PubChem CID 107513554) has the molecular formula C17H28F2N2 and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
PubChem CID107513554
Molecular FormulaC17H28F2N2
Molecular Weight298.42 g/mol
Exact Mass298.22
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H28F2N2/c1-7-17(5,21(8-2)9-3)16(20-6)13-11-10-12(4)14(18)15(13)19/h10-11,16,20H,7-9H2,1-6H3
InChIKeyNRZJAROLLGGUSZ-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 107513536
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 107516698
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 79063813
2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol
CID 107512942
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
2-N,2-N-diethyl-1-N,2-dimethyl-1-(2-methylpyrazol-3-yl)butane-1,2-diamine
CID 79068676
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 79989059

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (CID 107513554) is 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(NC)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The InChIKey is NRZJAROLLGGUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2/c1-7-17(5,21(8-2)9-3)16(20-6)13-11-10-12(4)14(18)15(13)19/h10-11,16,20H,7-9H2,1-6H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine has a molecular weight of 298.42 g/mol, XLogP of 4.04, 7 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)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 107513554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).