1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine

C14H22FNO — CID 104793318

IUPAC1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
SMILESCCC(C)C(C)(N)Cc1cccc(OC)c1F
InChIInChI=1S/C14H22FNO/c1-5-10(2)14(3,16)9-11-7-6-8-12(17-4)13(11)15/h6-8,10H,5,9,16H2,1-4H3
InChIKeyONJLOXXQYAAOEN-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine

1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine (PubChem CID 104793318) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
PubChem CID104793318
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
SMILESCCC(C)C(C)(N)Cc1cccc(OC)c1F
InChIInChI=1S/C14H22FNO/c1-5-10(2)14(3,16)9-11-7-6-8-12(17-4)13(11)15/h6-8,10H,5,9,16H2,1-4H3
InChIKeyONJLOXXQYAAOEN-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104794761
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 158318334

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine (CID 104793318) is 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine is CCC(C)C(C)(N)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine?
The InChIKey is ONJLOXXQYAAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-10(2)14(3,16)9-11-7-6-8-12(17-4)13(11)15/h6-8,10H,5,9,16H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.14, 5 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)-2,3-dimethylpentan-2-amine is sourced from PubChem (CID 104793318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).