N-ethyl-1-(4-fluorophenoxy)butan-2-amine

C12H18FNO — CID 62038922

IUPACN-ethyl-1-(4-fluorophenoxy)butan-2-amine
SMILESCCNC(CC)COc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-11(14-4-2)9-15-12-7-5-10(13)6-8-12/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeyRIHFFBVBFOISSP-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-1-(4-fluorophenoxy)butan-2-amine

N-ethyl-1-(4-fluorophenoxy)butan-2-amine (PubChem CID 62038922) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenoxy)butan-2-amine
PubChem CID62038922
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-1-(4-fluorophenoxy)butan-2-amine
SMILESCCNC(CC)COc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-11(14-4-2)9-15-12-7-5-10(13)6-8-12/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeyRIHFFBVBFOISSP-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
1-(4-chlorophenoxy)-N-ethyl-4-methylhexan-2-amine
CID 105138305
N-ethyl-1-(2-ethylphenoxy)butan-2-amine
CID 62040851
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenoxy)butan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenoxy)butan-2-amine (CID 62038922) is N-ethyl-1-(4-fluorophenoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenoxy)butan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenoxy)butan-2-amine is CCNC(CC)COc1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenoxy)butan-2-amine?
The InChIKey is RIHFFBVBFOISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-11(14-4-2)9-15-12-7-5-10(13)6-8-12/h5-8,11,14H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenoxy)butan-2-amine?
N-ethyl-1-(4-fluorophenoxy)butan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenoxy)butan-2-amine is sourced from PubChem (CID 62038922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).