N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H25FN2O — CID 106614892

IUPACN-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCN(CCCOc1ccc(F)cc1)CC1CCCN1
InChIInChI=1S/C16H25FN2O/c1-2-19(13-15-5-3-10-18-15)11-4-12-20-16-8-6-14(17)7-9-16/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyFTHWCLXQIOYASG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds8

About N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106614892) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106614892
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCN(CCCOc1ccc(F)cc1)CC1CCCN1
InChIInChI=1S/C16H25FN2O/c1-2-19(13-15-5-3-10-18-15)11-4-12-20-16-8-6-14(17)7-9-16/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyFTHWCLXQIOYASG-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
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-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
N-[2-(3-chlorophenoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616599
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106614892) is N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCN(CCCOc1ccc(F)cc1)CC1CCCN1.
What is the InChIKey of N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is FTHWCLXQIOYASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-19(13-15-5-3-10-18-15)11-4-12-20-16-8-6-14(17)7-9-16/h6-9,15,18H,2-5,10-13H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106614892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).