N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine

C18H23FN2O — CID 4720695

IUPACN'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C18H23FN2O/c1-20-10-5-11-21-13-15-6-4-8-17(12-15)22-14-16-7-2-3-9-18(16)19/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3
InChIKeyAMAVGBGZXPXQIJ-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.10
Rot. Bonds9

About N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine

N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine (PubChem CID 4720695) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
PubChem CID4720695
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC NameN'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C18H23FN2O/c1-20-10-5-11-21-13-15-6-4-8-17(12-15)22-14-16-7-2-3-9-18(16)19/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3
InChIKeyAMAVGBGZXPXQIJ-UHFFFAOYSA-N
XLogP3.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.10
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-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
CID 119115289
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720357
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
N'-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720921
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 4720686

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine (CID 4720695) is N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
The InChIKey is AMAVGBGZXPXQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-20-10-5-11-21-13-15-6-4-8-17(12-15)22-14-16-7-2-3-9-18(16)19/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3.
What are the key properties of N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine has a molecular weight of 302.39 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 4720695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).