N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine

C13H20FNO — CID 62454913

IUPACN-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccccc1F)C(C)C
InChIInChI=1S/C13H20FNO/c1-4-15-9-13(10(2)3)16-12-8-6-5-7-11(12)14/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyPKAZSWLRBVFRHZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine

N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine (PubChem CID 62454913) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
PubChem CID62454913
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccccc1F)C(C)C
InChIInChI=1S/C13H20FNO/c1-4-15-9-13(10(2)3)16-12-8-6-5-7-11(12)14/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyPKAZSWLRBVFRHZ-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-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-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62454914
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63037166
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62449645
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
CID 79443669
1-(2-fluorophenoxy)ethanethiol
CID 166973393
2-(2-bromo-4-fluorophenoxy)-3-methyl-N-propylbutan-1-amine
CID 55078029
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine (CID 62454913) is N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine is CCNCC(Oc1ccccc1F)C(C)C.
What is the InChIKey of N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine?
The InChIKey is PKAZSWLRBVFRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-15-9-13(10(2)3)16-12-8-6-5-7-11(12)14/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine?
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 62454913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).