N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine

C13H21FN2O — CID 54935456

IUPACN'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
SMILESCOCCCN(CCCN)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-17-11-5-10-16(9-4-8-15)13-7-3-2-6-12(13)14/h2-3,6-7H,4-5,8-11,15H2,1H3
InChIKeyQHFRIKIJRNYQDZ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.02
Rot. Bonds8

About N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine

N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine (PubChem CID 54935456) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
PubChem CID54935456
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
SMILESCOCCCN(CCCN)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-17-11-5-10-16(9-4-8-15)13-7-3-2-6-12(13)14/h2-3,6-7H,4-5,8-11,15H2,1H3
InChIKeyQHFRIKIJRNYQDZ-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(2-fluorophenyl)-N'-(3-methoxypropyl)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

N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
1-[3-aminopropyl(2-methoxyethylsulfamoyl)amino]-2-fluorobenzene
CID 114813776
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
CID 62326935
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
N'-(2-methoxyethyl)-N'-quinolin-4-ylpropane-1,3-diamine
CID 63287108
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine (CID 54935456) is N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine is COCCCN(CCCN)c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
The InChIKey is QHFRIKIJRNYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-17-11-5-10-16(9-4-8-15)13-7-3-2-6-12(13)14/h2-3,6-7H,4-5,8-11,15H2,1H3.
What are the key properties of N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine is sourced from PubChem (CID 54935456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).