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

C18H22FNO — CID 64854999

IUPAC1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(C)ccc1F)c1ccccc1C
InChIInChI=1S/C18H22FNO/c1-4-16(20)18(14-8-6-5-7-13(14)3)21-17-11-12(2)9-10-15(17)19/h5-11,16,18H,4,20H2,1-3H3
InChIKeyISSCGWUYBQQWCI-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds5

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

1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine (PubChem CID 64854999) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine
PubChem CID64854999
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(C)ccc1F)c1ccccc1C
InChIInChI=1S/C18H22FNO/c1-4-16(20)18(14-8-6-5-7-13(14)3)21-17-11-12(2)9-10-15(17)19/h5-11,16,18H,4,20H2,1-3H3
InChIKeyISSCGWUYBQQWCI-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

Analyze 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 63458600
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64855007
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-[2-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 64855797
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine (CID 64854999) is 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine is CCC(N)C(Oc1cc(C)ccc1F)c1ccccc1C.
What is the InChIKey of 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine?
The InChIKey is ISSCGWUYBQQWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-16(20)18(14-8-6-5-7-13(14)3)21-17-11-12(2)9-10-15(17)19/h5-11,16,18H,4,20H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine?
1-(2-fluoro-5-methylphenoxy)-1-(2-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-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 64854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).