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

C17H29FN2 — CID 79061182

IUPAC1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCNC(c1cc(C)ccc1F)C(CC)(CC)N(C)C
InChIInChI=1S/C17H29FN2/c1-7-17(8-2,20(5)6)16(19-9-3)14-12-13(4)10-11-15(14)18/h10-12,16,19H,7-9H2,1-6H3
InChIKeyLHFNSMVSVLDRMH-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.91
Rot. Bonds7

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

1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 79061182) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID79061182
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCNC(c1cc(C)ccc1F)C(CC)(CC)N(C)C
InChIInChI=1S/C17H29FN2/c1-7-17(8-2,20(5)6)16(19-9-3)14-12-13(4)10-11-15(14)18/h10-12,16,19H,7-9H2,1-6H3
InChIKeyLHFNSMVSVLDRMH-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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Frequently Asked Questions

What is the IUPAC name of 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine (CID 79061182) is 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine is CCNC(c1cc(C)ccc1F)C(CC)(CC)N(C)C.
What is the InChIKey of 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is LHFNSMVSVLDRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-17(8-2,20(5)6)16(19-9-3)14-12-13(4)10-11-15(14)18/h10-12,16,19H,7-9H2,1-6H3.
What are the key properties of 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-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 1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79061182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).