1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine

C15H24FNO — CID 105035513

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
SMILESCNC(Cc1cccc(OC)c1F)C(C)C(C)C
InChIInChI=1S/C15H24FNO/c1-10(2)11(3)13(17-4)9-12-7-6-8-14(18-5)15(12)16/h6-8,10-11,13,17H,9H2,1-5H3
InChIKeyOBZVZHRAOMSKPL-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine

1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine (PubChem CID 105035513) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
PubChem CID105035513
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
SMILESCNC(Cc1cccc(OC)c1F)C(C)C(C)C
InChIInChI=1S/C15H24FNO/c1-10(2)11(3)13(17-4)9-12-7-6-8-14(18-5)15(12)16/h6-8,10-11,13,17H,9H2,1-5H3
InChIKeyOBZVZHRAOMSKPL-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
[1-(2-fluoro-3-methoxyphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273616
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
[1-(2-methoxyphenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105289474
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 104794718

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine (CID 105035513) is 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine is CNC(Cc1cccc(OC)c1F)C(C)C(C)C.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine?
The InChIKey is OBZVZHRAOMSKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-10(2)11(3)13(17-4)9-12-7-6-8-14(18-5)15(12)16/h6-8,10-11,13,17H,9H2,1-5H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine is sourced from PubChem (CID 105035513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).