1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine

C23H26FNO — CID 54803956

IUPAC1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
SMILESCCCCCOc1ccc2ccccc2c1CNCc1ccc(F)cc1
InChIInChI=1S/C23H26FNO/c1-2-3-6-15-26-23-14-11-19-7-4-5-8-21(19)22(23)17-25-16-18-9-12-20(24)13-10-18/h4-5,7-14,25H,2-3,6,15-17H2,1H3
InChIKeyYSQXIZFMOCXQCH-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.84
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine (PubChem CID 54803956) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
PubChem CID54803956
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
SMILESCCCCCOc1ccc2ccccc2c1CNCc1ccc(F)cc1
InChIInChI=1S/C23H26FNO/c1-2-3-6-15-26-23-14-11-19-7-4-5-8-21(19)22(23)17-25-16-18-9-12-20(24)13-10-18/h4-5,7-14,25H,2-3,6,15-17H2,1H3
InChIKeyYSQXIZFMOCXQCH-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.84
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-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
CID 54849210
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
CID 54804162
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54804645
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine (CID 54803956) is 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine is CCCCCOc1ccc2ccccc2c1CNCc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine?
The InChIKey is YSQXIZFMOCXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO/c1-2-3-6-15-26-23-14-11-19-7-4-5-8-21(19)22(23)17-25-16-18-9-12-20(24)13-10-18/h4-5,7-14,25H,2-3,6,15-17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine has a molecular weight of 351.47 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine is sourced from PubChem (CID 54803956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).