4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine

C16H26F2N2 — CID 105406565

IUPAC4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
SMILESCCNC(CCN(CC)CC)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H26F2N2/c1-4-19-16(7-8-20(5-2)6-3)11-13-9-14(17)12-15(18)10-13/h9-10,12,16,19H,4-8,11H2,1-3H3
InChIKeyUJXKZJNVZJVXJH-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.22
Rot. Bonds9

About 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine

4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine (PubChem CID 105406565) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
PubChem CID105406565
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
SMILESCCNC(CCN(CC)CC)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H26F2N2/c1-4-19-16(7-8-20(5-2)6-3)11-13-9-14(17)12-15(18)10-13/h9-10,12,16,19H,4-8,11H2,1-3H3
InChIKeyUJXKZJNVZJVXJH-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
CID 79709304
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
CID 79087242
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82875994

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
The IUPAC name of 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine (CID 105406565) is 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
The canonical SMILES for 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine is CCNC(CCN(CC)CC)Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
The InChIKey is UJXKZJNVZJVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-4-19-16(7-8-20(5-2)6-3)11-13-9-14(17)12-15(18)10-13/h9-10,12,16,19H,4-8,11H2,1-3H3.
What are the key properties of 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine is sourced from PubChem (CID 105406565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).