N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine

C13H20FNO — CID 102986467

IUPACN-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
SMILESCCNCCCCOc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-3-15-8-4-5-9-16-13-10-12(14)7-6-11(13)2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyRTOGATQZRLESQA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds7

About N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine

N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine (PubChem CID 102986467) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
PubChem CID102986467
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
SMILESCCNCCCCOc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-3-15-8-4-5-9-16-13-10-12(14)7-6-11(13)2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyRTOGATQZRLESQA-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 62451735
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
2-(3-ethylsulfanylpropoxy)-4-fluoro-1-methylbenzene
CID 102975398
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 102987235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine?
The IUPAC name of N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine (CID 102986467) is N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine is CCNCCCCOc1cc(F)ccc1C.
What is the InChIKey of N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine?
The InChIKey is RTOGATQZRLESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-15-8-4-5-9-16-13-10-12(14)7-6-11(13)2/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine?
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine is sourced from PubChem (CID 102986467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).