N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine

C12H21FN2O — CID 22368875

IUPACN-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
SMILESCCNCCOc1ccc(F)cc1.CNC
InChIInChI=1S/C10H14FNO.C2H7N/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;1-3-2/h3-6,12H,2,7-8H2,1H3;3H,1-2H3
InChIKeyQSYICHUXYRTZGE-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.65
Rot. Bonds5

About N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine

N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine (PubChem CID 22368875) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
PubChem CID22368875
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
SMILESCCNCCOc1ccc(F)cc1.CNC
InChIInChI=1S/C10H14FNO.C2H7N/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;1-3-2/h3-6,12H,2,7-8H2,1H3;3H,1-2H3
InChIKeyQSYICHUXYRTZGE-UHFFFAOYSA-N
XLogP1.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
2-[4-[(E)-1,2-bis(4-fluorophenyl)but-1-enyl]phenoxy]-N-methylethanamine
CID 70876118
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine (CID 22368875) is N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine is CCNCCOc1ccc(F)cc1.CNC.
What is the InChIKey of N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine?
The InChIKey is QSYICHUXYRTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.C2H7N/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;1-3-2/h3-6,12H,2,7-8H2,1H3;3H,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine?
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine has a molecular weight of 228.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine is sourced from PubChem (CID 22368875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).