N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine

C23H27FN2O — CID 17215574

IUPACN-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
SMILESCCNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C23H27FN2O/c1-2-25-14-7-15-26-16-21-20-10-5-3-8-18(20)12-13-23(21)27-17-19-9-4-6-11-22(19)24/h3-6,8-13,25-26H,2,7,14-17H2,1H3
InChIKeyAAFVAZNVTQUEHS-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.65
Rot. Bonds10

About N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine

N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine (PubChem CID 17215574) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
PubChem CID17215574
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
SMILESCCNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C23H27FN2O/c1-2-25-14-7-15-26-16-21-20-10-5-3-8-18(20)12-13-23(21)27-17-19-9-4-6-11-22(19)24/h3-6,8-13,25-26H,2,7,14-17H2,1H3
InChIKeyAAFVAZNVTQUEHS-UHFFFAOYSA-N
XLogP4.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.65
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-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
CID 17289991
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215107
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215455
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
CID 17155107
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine (CID 17215574) is N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine is CCNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12.
What is the InChIKey of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine?
The InChIKey is AAFVAZNVTQUEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-2-25-14-7-15-26-16-21-20-10-5-3-8-18(20)12-13-23(21)27-17-19-9-4-6-11-22(19)24/h3-6,8-13,25-26H,2,7,14-17H2,1H3.
What are the key properties of N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine?
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine has a molecular weight of 366.48 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 17215574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).