2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine

C15H24FNO — CID 107661333

IUPAC2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Oc1cccc(C)c1F
InChIInChI=1S/C15H24FNO/c1-4-7-13(11-17-10-5-2)18-14-9-6-8-12(3)15(14)16/h6,8-9,13,17H,4-5,7,10-11H2,1-3H3
InChIKeyPDMILDIPLJDPHN-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds8

About 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine

2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine (PubChem CID 107661333) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
PubChem CID107661333
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Oc1cccc(C)c1F
InChIInChI=1S/C15H24FNO/c1-4-7-13(11-17-10-5-2)18-14-9-6-8-12(3)15(14)16/h6,8-9,13,17H,4-5,7,10-11H2,1-3H3
InChIKeyPDMILDIPLJDPHN-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.68
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

2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
2-(4-fluorophenoxy)-N-propylpentan-1-amine
CID 83045947
2-(4-tert-butyl-2-methylphenoxy)-N-propylpentan-1-amine
CID 83049912
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2-(2-methoxy-4-methylphenoxy)-N-propylpentan-1-amine
CID 83046472
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-(3-bromo-4-fluorophenoxy)-N-propylpentan-1-amine
CID 83234665
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine (CID 107661333) is 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine is CCCNCC(CCC)Oc1cccc(C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine?
The InChIKey is PDMILDIPLJDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-7-13(11-17-10-5-2)18-14-9-6-8-12(3)15(14)16/h6,8-9,13,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine?
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 107661333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).