1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine

C17H19F2NO — CID 63934055

IUPAC1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
SMILESCCC(N)C(OCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C17H19F2NO/c1-2-16(20)17(13-8-4-6-10-15(13)19)21-11-12-7-3-5-9-14(12)18/h3-10,16-17H,2,11,20H2,1H3
InChIKeyUYYIYMCSTUELKK-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.96
Rot. Bonds6

About 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine

1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine (PubChem CID 63934055) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
PubChem CID63934055
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
SMILESCCC(N)C(OCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C17H19F2NO/c1-2-16(20)17(13-8-4-6-10-15(13)19)21-11-12-7-3-5-9-14(12)18/h3-10,16-17H,2,11,20H2,1H3
InChIKeyUYYIYMCSTUELKK-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120
1-(2-cyclobutylethoxy)-1-(2-fluorophenyl)butan-2-amine
CID 106200053
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(2-fluorophenyl)-1-octan-2-yloxybutan-2-amine
CID 63459546
1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine (CID 63934055) is 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine is CCC(N)C(OCc1ccccc1F)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine?
The InChIKey is UYYIYMCSTUELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-16(20)17(13-8-4-6-10-15(13)19)21-11-12-7-3-5-9-14(12)18/h3-10,16-17H,2,11,20H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine?
1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine is sourced from PubChem (CID 63934055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).