N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine

C15H24F2N2 — CID 115524220

IUPACN-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H24F2N2/c1-3-5-10-19(4-2)14(11-18)12-6-8-13(9-7-12)15(16)17/h6-9,14-15H,3-5,10-11,18H2,1-2H3
InChIKeyYMZDHBGOCVJBNZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.75
Rot. Bonds8

About N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine

N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine (PubChem CID 115524220) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
PubChem CID115524220
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H24F2N2/c1-3-5-10-19(4-2)14(11-18)12-6-8-13(9-7-12)15(16)17/h6-9,14-15H,3-5,10-11,18H2,1-2H3
InChIKeyYMZDHBGOCVJBNZ-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
CID 43327444
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine (CID 115524220) is N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine is CCCCN(CC)C(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
The InChIKey is YMZDHBGOCVJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-3-5-10-19(4-2)14(11-18)12-6-8-13(9-7-12)15(16)17/h6-9,14-15H,3-5,10-11,18H2,1-2H3.
What are the key properties of N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine?
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 115524220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).