N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine

C13H20FNO — CID 63936975

IUPACN-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine
SMILESCCNCC(CC)OCc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-3-12(9-15-4-2)16-10-11-7-5-6-8-13(11)14/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyAQONEZGNFOZYQK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.73
Rot. Bonds7

About N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine

N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine (PubChem CID 63936975) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine
PubChem CID63936975
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine
SMILESCCNCC(CC)OCc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-3-12(9-15-4-2)16-10-11-7-5-6-8-13(11)14/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyAQONEZGNFOZYQK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methoxy]-3-methoxy-N-methylpropan-1-amine
CID 103228719
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
1-(4-chlorobutan-2-yloxymethyl)-2-fluorobenzene
CID 134202097
3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
CID 63935715
2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63937189
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
CID 63934055
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
CID 79443669
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine (CID 63936975) is N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine is CCNCC(CC)OCc1ccccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine?
The InChIKey is AQONEZGNFOZYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-12(9-15-4-2)16-10-11-7-5-6-8-13(11)14/h5-8,12,15H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine?
N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methoxy]butan-1-amine is sourced from PubChem (CID 63936975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).