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

C26H28FNO — CID 17210155

IUPAC2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESFc1ccc(COc2ccc3ccccc3c2CNCCC2=CCCCC2)cc1
InChIInChI=1S/C26H28FNO/c27-23-13-10-21(11-14-23)19-29-26-15-12-22-8-4-5-9-24(22)25(26)18-28-17-16-20-6-2-1-3-7-20/h4-6,8-15,28H,1-3,7,16-19H2
InChIKeyORXAKDUDFYVZOV-UHFFFAOYSA-N
MW389.51 g/mol
LogP6.54
Rot. Bonds8

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

2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (PubChem CID 17210155) has the molecular formula C26H28FNO and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
PubChem CID17210155
Molecular FormulaC26H28FNO
Molecular Weight389.51 g/mol
Exact Mass389.22
IUPAC Name2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESFc1ccc(COc2ccc3ccccc3c2CNCCC2=CCCCC2)cc1
InChIInChI=1S/C26H28FNO/c27-23-13-10-21(11-14-23)19-29-26-15-12-22-8-4-5-9-24(22)25(26)18-28-17-16-20-6-2-1-3-7-20/h4-6,8-15,28H,1-3,7,16-19H2
InChIKeyORXAKDUDFYVZOV-UHFFFAOYSA-N
XLogP6.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 17210034
2-(cyclohexen-1-yl)-N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54847652
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-3-methylbutan-1-amine
CID 17210543
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
CID 17209736
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (CID 17210155) is 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is Fc1ccc(COc2ccc3ccccc3c2CNCCC2=CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The InChIKey is ORXAKDUDFYVZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO/c27-23-13-10-21(11-14-23)19-29-26-15-12-22-8-4-5-9-24(22)25(26)18-28-17-16-20-6-2-1-3-7-20/h4-6,8-15,28H,1-3,7,16-19H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine has a molecular weight of 389.51 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 17210155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).