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

C22H25FN2O — CID 4721072

IUPACN'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C22H25FN2O/c1-24-13-6-14-25-15-20-19-9-4-2-7-17(19)11-12-22(20)26-16-18-8-3-5-10-21(18)23/h2-5,7-12,24-25H,6,13-16H2,1H3
InChIKeyQBFWBWBPFYJOJI-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.26
Rot. Bonds9

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

N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine (PubChem CID 4721072) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
PubChem CID4721072
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C22H25FN2O/c1-24-13-6-14-25-15-20-19-9-4-2-7-17(19)11-12-22(20)26-16-18-8-3-5-10-21(18)23/h2-5,7-12,24-25H,6,13-16H2,1H3
InChIKeyQBFWBWBPFYJOJI-UHFFFAOYSA-N
XLogP4.26
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.26
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-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
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-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
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-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 17295594
N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720357

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine (CID 4721072) is N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12.
What is the InChIKey of N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine?
The InChIKey is QBFWBWBPFYJOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-24-13-6-14-25-15-20-19-9-4-2-7-17(19)11-12-22(20)26-16-18-8-3-5-10-21(18)23/h2-5,7-12,24-25H,6,13-16H2,1H3.
What are the key properties of N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine?
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine has a molecular weight of 352.45 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 4721072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).