1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine

C14H22F2N2 — CID 116913878

IUPAC1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCC(CNC)C(c1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H22F2N2/c1-5-10(9-17-2)14(18(3)4)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeyWGDHRTUJPFZGKC-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.81
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine

1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 116913878) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID116913878
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCC(CNC)C(c1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H22F2N2/c1-5-10(9-17-2)14(18(3)4)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeyWGDHRTUJPFZGKC-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-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

1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 116932454
1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913506
2-[(3,4-difluorophenyl)-(dimethylamino)methyl]-3-methylbutan-1-ol
CID 116913438
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
1,2-difluoro-4-(1-iodopropyl)benzene
CID 70110065
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine (CID 116913878) is 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine is CCC(CNC)C(c1ccc(F)c(F)c1)N(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is WGDHRTUJPFZGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-5-10(9-17-2)14(18(3)4)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,5,9H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine?
1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116913878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).