N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine

C13H21FN2O — CID 113410575

IUPACN'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCNCc1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-17-10-9-15-7-4-8-16-11-12-5-2-3-6-13(12)14/h2-3,5-6,15-16H,4,7-11H2,1H3
InChIKeyAVWGRDOENCBLAG-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.54
Rot. Bonds9

About N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine

N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 113410575) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
PubChem CID113410575
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCNCc1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-17-10-9-15-7-4-8-16-11-12-5-2-3-6-13(12)14/h2-3,5-6,15-16H,4,7-11H2,1H3
InChIKeyAVWGRDOENCBLAG-UHFFFAOYSA-N
XLogP1.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine (CID 113410575) is N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine is COCCNCCCNCc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is AVWGRDOENCBLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-17-10-9-15-7-4-8-16-11-12-5-2-3-6-13(12)14/h2-3,5-6,15-16H,4,7-11H2,1H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine?
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 113410575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).