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

C12H18FNO — CID 62459043

IUPACN-ethyl-2-(3-fluorophenoxy)butan-1-amine
SMILESCCNCC(CC)Oc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-3-11(9-14-4-2)15-12-7-5-6-10(13)8-12/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeySMFVIEPBWRKUAR-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds6

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

N-ethyl-2-(3-fluorophenoxy)butan-1-amine (PubChem CID 62459043) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenoxy)butan-1-amine
PubChem CID62459043
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-2-(3-fluorophenoxy)butan-1-amine
SMILESCCNCC(CC)Oc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-3-11(9-14-4-2)15-12-7-5-6-10(13)8-12/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeySMFVIEPBWRKUAR-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

N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
(2S)-2-(3-fluorophenoxy)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 97022485
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
2-(2,2-difluoroethyl)-1-ethyl-3-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
CID 109475644
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
1-[2-(3-fluorophenoxy)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111970194
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
1,3-di(pentan-3-yloxy)benzene
CID 91386050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenoxy)butan-1-amine (CID 62459043) is N-ethyl-2-(3-fluorophenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenoxy)butan-1-amine is CCNCC(CC)Oc1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenoxy)butan-1-amine?
The InChIKey is SMFVIEPBWRKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-11(9-14-4-2)15-12-7-5-6-10(13)8-12/h5-8,11,14H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluorophenoxy)butan-1-amine?
N-ethyl-2-(3-fluorophenoxy)butan-1-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-2-(3-fluorophenoxy)butan-1-amine is sourced from PubChem (CID 62459043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).