1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine

C18H22FNO — CID 102980547

IUPAC1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1C)c1cccc(C)c1
InChIInChI=1S/C18H22FNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-11-15(19)9-8-13(17)3/h5-11,16,18H,4,20H2,1-3H3
InChIKeyCGOPKWLNJFBXJH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds5

About 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine

1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine (PubChem CID 102980547) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
PubChem CID102980547
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1C)c1cccc(C)c1
InChIInChI=1S/C18H22FNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-11-15(19)9-8-13(17)3/h5-11,16,18H,4,20H2,1-3H3
InChIKeyCGOPKWLNJFBXJH-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
CID 102980496
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 63458600
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine (CID 102980547) is 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine is CCC(N)C(Oc1cc(F)ccc1C)c1cccc(C)c1.
What is the InChIKey of 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The InChIKey is CGOPKWLNJFBXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-11-15(19)9-8-13(17)3/h5-11,16,18H,4,20H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 102980547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).