1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine

C15H24FNO — CID 105374363

IUPAC1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(Cc1cc(F)ccc1C)NC
InChIInChI=1S/C15H24FNO/c1-5-6-15(18-4)14(17-3)10-12-9-13(16)8-7-11(12)2/h7-9,14-15,17H,5-6,10H2,1-4H3
InChIKeyOXMUNZOZFYHXMY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.08
Rot. Bonds7

About 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine

1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine (PubChem CID 105374363) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
PubChem CID105374363
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(Cc1cc(F)ccc1C)NC
InChIInChI=1S/C15H24FNO/c1-5-6-15(18-4)14(17-3)10-12-9-13(16)8-7-11(12)2/h7-9,14-15,17H,5-6,10H2,1-4H3
InChIKeyOXMUNZOZFYHXMY-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
1-(2,5-dimethylphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715583
4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103312373
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
CID 105050915
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(5-fluoro-2-methylphenyl)-2-methoxypentan-1-ol
CID 116711696
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine (CID 105374363) is 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine is CCCC(OC)C(Cc1cc(F)ccc1C)NC.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine?
The InChIKey is OXMUNZOZFYHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-6-15(18-4)14(17-3)10-12-9-13(16)8-7-11(12)2/h7-9,14-15,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine?
1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 105374363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).