N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine

C17H30FN3 — CID 62644533

IUPACN'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NC)c1ccccc1F)CCN(C)C
InChIInChI=1S/C17H30FN3/c1-5-11-21(14-13-20(3)4)12-10-17(19-2)15-8-6-7-9-16(15)18/h6-9,17,19H,5,10-14H2,1-4H3
InChIKeyAAJCOACXVNLDOT-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.75
Rot. Bonds10

About N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62644533) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID62644533
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC NameN'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NC)c1ccccc1F)CCN(C)C
InChIInChI=1S/C17H30FN3/c1-5-11-21(14-13-20(3)4)12-10-17(19-2)15-8-6-7-9-16(15)18/h6-9,17,19H,5,10-14H2,1-4H3
InChIKeyAAJCOACXVNLDOT-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-(dimethylamino)ethyl]-1-(2-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-(2-bromophenyl)-N'-[2-(dimethylamino)ethyl]-N-methyl-N'-propylpropane-1,3-diamine
CID 62629274
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
CID 62645074
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087903
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
3-(2-fluorophenyl)-3-(methylamino)propanenitrile
CID 116955204
1-(2-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025147

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine (CID 62644533) is N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine is CCCN(CCC(NC)c1ccccc1F)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is AAJCOACXVNLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3/c1-5-11-21(14-13-20(3)4)12-10-17(19-2)15-8-6-7-9-16(15)18/h6-9,17,19H,5,10-14H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 295.45 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62644533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).