2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine

C27H26FNO — CID 17054879

IUPAC2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESCc1ccc(COc2ccc3ccccc3c2CNCCc2ccccc2F)cc1
InChIInChI=1S/C27H26FNO/c1-20-10-12-21(13-11-20)19-30-27-15-14-22-6-2-4-8-24(22)25(27)18-29-17-16-23-7-3-5-9-26(23)28/h2-15,29H,16-19H2,1H3
InChIKeyNCRODWGFFILADW-UHFFFAOYSA-N
MW399.51 g/mol
LogP6.20
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine

2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (PubChem CID 17054879) has the molecular formula C27H26FNO and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
PubChem CID17054879
Molecular FormulaC27H26FNO
Molecular Weight399.51 g/mol
Exact Mass399.20
IUPAC Name2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESCc1ccc(COc2ccc3ccccc3c2CNCCc2ccccc2F)cc1
InChIInChI=1S/C27H26FNO/c1-20-10-12-21(13-11-20)19-30-27-15-14-22-6-2-4-8-24(22)25(27)18-29-17-16-23-7-3-5-9-26(23)28/h2-15,29H,16-19H2,1H3
InChIKeyNCRODWGFFILADW-UHFFFAOYSA-N
XLogP6.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
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]-N-methylpropane-1,3-diamine
CID 4721072
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
CID 17289991
2-(2-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294152
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
2-[3-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214333
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (CID 17054879) is 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is Cc1ccc(COc2ccc3ccccc3c2CNCCc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The InChIKey is NCRODWGFFILADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FNO/c1-20-10-12-21(13-11-20)19-30-27-15-14-22-6-2-4-8-24(22)25(27)18-29-17-16-23-7-3-5-9-26(23)28/h2-15,29H,16-19H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine has a molecular weight of 399.51 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 17054879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).