2-(3-fluorophenoxy)-N-methylpentan-1-amine

C12H18FNO — CID 83046683

IUPAC2-(3-fluorophenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-3-5-12(9-14-2)15-11-7-4-6-10(13)8-11/h4,6-8,12,14H,3,5,9H2,1-2H3
InChIKeyXNJBIUMFLLSGCD-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-methylpentan-1-amine

2-(3-fluorophenoxy)-N-methylpentan-1-amine (PubChem CID 83046683) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-methylpentan-1-amine
PubChem CID83046683
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(3-fluorophenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-3-5-12(9-14-2)15-11-7-4-6-10(13)8-11/h4,6-8,12,14H,3,5,9H2,1-2H3
InChIKeyXNJBIUMFLLSGCD-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-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
CID 65223456
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
3-(3-fluorophenoxy)-N-propylheptan-4-amine
CID 63475966
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-methylpentan-1-amine?
The IUPAC name of 2-(3-fluorophenoxy)-N-methylpentan-1-amine (CID 83046683) is 2-(3-fluorophenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 2-(3-fluorophenoxy)-N-methylpentan-1-amine is CCCC(CNC)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-methylpentan-1-amine?
The InChIKey is XNJBIUMFLLSGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-5-12(9-14-2)15-11-7-4-6-10(13)8-11/h4,6-8,12,14H,3,5,9H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-N-methylpentan-1-amine?
2-(3-fluorophenoxy)-N-methylpentan-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 2-(3-fluorophenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 83046683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).