2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine

C17H28FNO2 — CID 103412616

IUPAC2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
SMILESCOCCOCCCC(CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FNO2/c1-14(2)19-13-16(7-5-9-21-11-10-20-3)15-6-4-8-17(18)12-15/h4,6,8,12,14,16,19H,5,7,9-11,13H2,1-3H3
InChIKeyXILPADFOXYNELM-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.35
Rot. Bonds11

About 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine

2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 103412616) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
PubChem CID103412616
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
SMILESCOCCOCCCC(CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FNO2/c1-14(2)19-13-16(7-5-9-21-11-10-20-3)15-6-4-8-17(18)12-15/h4,6,8,12,14,16,19H,5,7,9-11,13H2,1-3H3
InChIKeyXILPADFOXYNELM-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-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-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 79440058
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine (CID 103412616) is 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine is COCCOCCCC(CNC(C)C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is XILPADFOXYNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-14(2)19-13-16(7-5-9-21-11-10-20-3)15-6-4-8-17(18)12-15/h4,6,8,12,14,16,19H,5,7,9-11,13H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine?
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 103412616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).