1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine

C18H22FNO — CID 115958198

IUPAC1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-3-16(20)11-14-9-6-7-13(2)18(14)21-12-15-8-4-5-10-17(15)19/h4-10,16H,3,11-12,20H2,1-2H3
InChIKeyZYYIZHCEMICSGS-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.99
Rot. Bonds6

About 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine

1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine (PubChem CID 115958198) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
PubChem CID115958198
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-3-16(20)11-14-9-6-7-13(2)18(14)21-12-15-8-4-5-10-17(15)19/h4-10,16H,3,11-12,20H2,1-2H3
InChIKeyZYYIZHCEMICSGS-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine (CID 115958198) is 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine is CCC(N)Cc1cccc(C)c1OCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine?
The InChIKey is ZYYIZHCEMICSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-16(20)11-14-9-6-7-13(2)18(14)21-12-15-8-4-5-10-17(15)19/h4-10,16H,3,11-12,20H2,1-2H3.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine?
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 115958198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).