5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine

C13H27FN2O — CID 114280319

IUPAC5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
SMILESCOCCN(CCCCCF)CC1CCCN1
InChIInChI=1S/C13H27FN2O/c1-17-11-10-16(9-4-2-3-7-14)12-13-6-5-8-15-13/h13,15H,2-12H2,1H3
InChIKeyDEQDHAPOIWXMJV-UHFFFAOYSA-N
MW246.37 g/mol
LogP1.83
Rot. Bonds10

About 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine

5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine (PubChem CID 114280319) has the molecular formula C13H27FN2O and a molecular weight of 246.37 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
PubChem CID114280319
Molecular FormulaC13H27FN2O
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC Name5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
SMILESCOCCN(CCCCCF)CC1CCCN1
InChIInChI=1S/C13H27FN2O/c1-17-11-10-16(9-4-2-3-7-14)12-13-6-5-8-15-13/h13,15H,2-12H2,1H3
InChIKeyDEQDHAPOIWXMJV-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylhexanenitrile
CID 106713476
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpentanenitrile
CID 106617573
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618388
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine (CID 114280319) is 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine is COCCN(CCCCCF)CC1CCCN1.
What is the InChIKey of 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
The InChIKey is DEQDHAPOIWXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O/c1-17-11-10-16(9-4-2-3-7-14)12-13-6-5-8-15-13/h13,15H,2-12H2,1H3.
What are the key properties of 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine has a molecular weight of 246.37 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 114280319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).