N,N-diethyl-2-(4-fluorophenoxy)ethanamine

C12H18FNO — CID 867210

IUPACN,N-diethyl-2-(4-fluorophenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNPIQAVSDOHORAV-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.55
Rot. Bonds6

About N,N-diethyl-2-(4-fluorophenoxy)ethanamine

N,N-diethyl-2-(4-fluorophenoxy)ethanamine (PubChem CID 867210) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluorophenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluorophenoxy)ethanamine
PubChem CID867210
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN,N-diethyl-2-(4-fluorophenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNPIQAVSDOHORAV-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2-(4-fluorophenoxy)ethanamine 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

N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
2-[4-[(1Z,3E)-2-chloro-1-(4-fluorophenyl)-3-methylpenta-1,3-dienyl]phenoxy]-N,N-diethylethanamine
CID 164901752
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-fluorophenyl)pent-2-enenitrile
CID 3003787
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
CID 78963624
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluorophenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-fluorophenoxy)ethanamine (CID 867210) is N,N-diethyl-2-(4-fluorophenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-fluorophenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-fluorophenoxy)ethanamine is CCN(CC)CCOc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-(4-fluorophenoxy)ethanamine?
The InChIKey is NPIQAVSDOHORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-fluorophenoxy)ethanamine?
N,N-diethyl-2-(4-fluorophenoxy)ethanamine has a molecular weight of 211.28 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluorophenoxy)ethanamine is sourced from PubChem (CID 867210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).