1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine

C23H24FNO2 — CID 57236429

IUPAC1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
SMILESCONC(=CC(C)OCCc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-17(15-23(25-26-2)20-9-11-22(24)12-10-20)27-14-13-18-7-8-19-5-3-4-6-21(19)16-18/h3-12,15-17,25H,13-14H2,1-2H3
InChIKeyGARLHQNORDTNKU-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.12
Rot. Bonds8

About 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine

1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine (PubChem CID 57236429) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
PubChem CID57236429
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
SMILESCONC(=CC(C)OCCc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-17(15-23(25-26-2)20-9-11-22(24)12-10-20)27-14-13-18-7-8-19-5-3-4-6-21(19)16-18/h3-12,15-17,25H,13-14H2,1-2H3
InChIKeyGARLHQNORDTNKU-UHFFFAOYSA-N
XLogP5.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine
CID 88918393
1-(7-Ethyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)ethenamine
CID 89683381
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90967142
5-Benzyl-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
CID 90970559
5-benzyl-5-methyl-3-naphthalen-2-yl-2H-1,2-oxazole
CID 91068799
5-(Naphthalen-1-ylmethyl)-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91207516
5-Benzyl-3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
CID 91604655
2-[4-[2-(Methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine
CID 123706819
5-Methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole
CID 150453697
3-[2-[4-(2-Methoxyethoxymethyl)phenyl]phenyl]-5-methyl-2,5-dihydro-1,2-oxazole
CID 151315553

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine (CID 57236429) is 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine is CONC(=CC(C)OCCc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine?
The InChIKey is GARLHQNORDTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-17(15-23(25-26-2)20-9-11-22(24)12-10-20)27-14-13-18-7-8-19-5-3-4-6-21(19)16-18/h3-12,15-17,25H,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine?
1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine has a molecular weight of 365.45 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine is sourced from PubChem (CID 57236429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).