2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine

C17H28FNO — CID 62596406

IUPAC2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCCOC)c1ccc(F)cc1
InChIInChI=1S/C17H28FNO/c1-4-10-17(11-5-2,14-19-12-13-20-3)15-6-8-16(18)9-7-15/h6-9,19H,4-5,10-14H2,1-3H3
InChIKeyWMCWFMBVULQTBR-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.90
Rot. Bonds10

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine

2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine (PubChem CID 62596406) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
PubChem CID62596406
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCCOC)c1ccc(F)cc1
InChIInChI=1S/C17H28FNO/c1-4-10-17(11-5-2,14-19-12-13-20-3)15-6-8-16(18)9-7-15/h6-9,19H,4-5,10-14H2,1-3H3
InChIKeyWMCWFMBVULQTBR-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037529
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 63511272
1-[1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)butan-2-yl]-4-fluorobenzene
CID 79455898
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
CID 62596589

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine (CID 62596406) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCCOC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
The InChIKey is WMCWFMBVULQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-4-10-17(11-5-2,14-19-12-13-20-3)15-6-8-16(18)9-7-15/h6-9,19H,4-5,10-14H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine?
2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine is sourced from PubChem (CID 62596406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).