2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

C15H25FN2 — CID 62272643

IUPAC2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-15(5-2,11-17)12-18(3)10-13-6-8-14(16)9-7-13/h6-9H,4-5,10-12,17H2,1-3H3
InChIKeyZJSZQROSWCINRP-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.02
Rot. Bonds7

About 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 62272643) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID62272643
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-15(5-2,11-17)12-18(3)10-13-6-8-14(16)9-7-13/h6-9H,4-5,10-12,17H2,1-3H3
InChIKeyZJSZQROSWCINRP-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-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

N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 62266717
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62260740
2-(bromomethyl)-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 65003826
N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 62272643) is 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is CCC(CC)(CN)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is ZJSZQROSWCINRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-15(5-2,11-17)12-18(3)10-13-6-8-14(16)9-7-13/h6-9H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62272643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).