1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine

C17H22FN3 — CID 83109313

IUPAC1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)c1ccc(C)cc1)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-13-4-7-15(8-5-13)21(3)11-10-16(19-2)17-9-6-14(18)12-20-17/h4-9,12,16,19H,10-11H2,1-3H3
InChIKeyOYGOSEAQKCTLRR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.32
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 83109313) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID83109313
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)c1ccc(C)cc1)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-13-4-7-15(8-5-13)21(3)11-10-16(19-2)17-9-6-14(18)12-20-17/h4-9,12,16,19H,10-11H2,1-3H3
InChIKeyOYGOSEAQKCTLRR-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-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

2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
N-methyl-6-[1-(methylamino)propyl]-N-(4-methylphenyl)pyridin-3-amine
CID 115939523
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83126725
N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
CID 83111882
2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
CID 112584231
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine
CID 83109122
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine (CID 83109313) is 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine is CNC(CCN(C)c1ccc(C)cc1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is OYGOSEAQKCTLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13-4-7-15(8-5-13)21(3)11-10-16(19-2)17-9-6-14(18)12-20-17/h4-9,12,16,19H,10-11H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 287.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 83109313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).