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

C15H24FNO — CID 107656960

IUPAC1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(CCC)COc1cccc(C)c1F
InChIInChI=1S/C15H24FNO/c1-4-7-13(17-10-5-2)11-18-14-9-6-8-12(3)15(14)16/h6,8-9,13,17H,4-5,7,10-11H2,1-3H3
InChIKeyWYIIVDMBDNHFRG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds8

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

1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine (PubChem CID 107656960) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
PubChem CID107656960
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(CCC)COc1cccc(C)c1F
InChIInChI=1S/C15H24FNO/c1-4-7-13(17-10-5-2)11-18-14-9-6-8-12(3)15(14)16/h6,8-9,13,17H,4-5,7,10-11H2,1-3H3
InChIKeyWYIIVDMBDNHFRG-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

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Related Compounds

1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
2-[(2-fluoro-3-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 107661808
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine (CID 107656960) is 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine is CCCNC(CCC)COc1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine?
The InChIKey is WYIIVDMBDNHFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-7-13(17-10-5-2)11-18-14-9-6-8-12(3)15(14)16/h6,8-9,13,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine?
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-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 1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine is sourced from PubChem (CID 107656960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).