2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine

C17H29FN2 — CID 79705022

IUPAC2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C17H29FN2/c1-7-17(5,20(8-2)9-3)16(19-6)14-10-13(4)11-15(18)12-14/h10-12,16,19H,7-9H2,1-6H3
InChIKeyHZWSXLPSQYXBCI-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.91
Rot. Bonds7

About 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine

2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine (PubChem CID 79705022) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
PubChem CID79705022
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C17H29FN2/c1-7-17(5,20(8-2)9-3)16(19-6)14-10-13(4)11-15(18)12-14/h10-12,16,19H,7-9H2,1-6H3
InChIKeyHZWSXLPSQYXBCI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 107513554
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine
CID 116544674
2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine (CID 79705022) is 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(NC)c1cc(C)cc(F)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine?
The InChIKey is HZWSXLPSQYXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-17(5,20(8-2)9-3)16(19-6)14-10-13(4)11-15(18)12-14/h10-12,16,19H,7-9H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine?
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79705022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).