N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine

C15H25FN2 — CID 43194034

IUPACN',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN(CC)CC)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-15(13-7-9-14(16)10-8-13)17-11-12-18(5-2)6-3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyVQZBGEYTIOOYNW-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds8

About N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine

N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine (PubChem CID 43194034) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
PubChem CID43194034
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN(CC)CC)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-15(13-7-9-14(16)10-8-13)17-11-12-18(5-2)6-3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyVQZBGEYTIOOYNW-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-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-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
CID 43309958
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 113258069
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine (CID 43194034) is N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine is CCC(NCCN(CC)CC)c1ccc(F)cc1.
What is the InChIKey of N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine?
The InChIKey is VQZBGEYTIOOYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-15(13-7-9-14(16)10-8-13)17-11-12-18(5-2)6-3/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 43194034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).