2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine

C18H22FNO — CID 107657103

IUPAC2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCc1cccc(OC(C(C)C)C(N)c2ccccc2)c1F
InChIInChI=1S/C18H22FNO/c1-12(2)18(17(20)14-9-5-4-6-10-14)21-15-11-7-8-13(3)16(15)19/h4-12,17-18H,20H2,1-3H3
InChIKeyGYCXAOJPXVEJRR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine

2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine (PubChem CID 107657103) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine
PubChem CID107657103
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCc1cccc(OC(C(C)C)C(N)c2ccccc2)c1F
InChIInChI=1S/C18H22FNO/c1-12(2)18(17(20)14-9-5-4-6-10-14)21-15-11-7-8-13(3)16(15)19/h4-12,17-18H,20H2,1-3H3
InChIKeyGYCXAOJPXVEJRR-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine
CID 43098227
2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine
CID 45281858
4,4,4-trifluoro-3-(2-fluoro-3-methylphenoxy)butan-2-amine
CID 107656388
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
CID 107656372
1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
CID 16792562
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine (CID 107657103) is 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine is Cc1cccc(OC(C(C)C)C(N)c2ccccc2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is GYCXAOJPXVEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)18(17(20)14-9-5-4-6-10-14)21-15-11-7-8-13(3)16(15)19/h4-12,17-18H,20H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine?
2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 107657103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).