N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine

C15H25FN2 — CID 62645499

IUPACN'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC)CCC(NC)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-11-18(5-2)12-10-15(17-3)13-6-8-14(16)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyOTXHFDSQYQPORA-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds8

About N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine

N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62645499) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID62645499
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC)CCC(NC)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-11-18(5-2)12-10-15(17-3)13-6-8-14(16)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyOTXHFDSQYQPORA-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'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-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-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
CID 102997097
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
CID 62644893

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine (CID 62645499) is N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine is CCCN(CC)CCC(NC)c1ccc(F)cc1.
What is the InChIKey of N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is OTXHFDSQYQPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-11-18(5-2)12-10-15(17-3)13-6-8-14(16)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-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'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).