1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine

C13H20FNO — CID 105044354

IUPAC1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1cccc(C)c1F
InChIInChI=1S/C13H20FNO/c1-9-5-4-6-11(12(9)14)13(15)10(2)7-8-16-3/h4-6,10,13H,7-8,15H2,1-3H3
InChIKeyWVAAJVWTNIZAIN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine

1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044354) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
PubChem CID105044354
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1cccc(C)c1F
InChIInChI=1S/C13H20FNO/c1-9-5-4-6-11(12(9)14)13(15)10(2)7-8-16-3/h4-6,10,13H,7-8,15H2,1-3H3
InChIKeyWVAAJVWTNIZAIN-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chlorophenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044258
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044751
1-(1-chloro-5-methoxy-3-methylpentan-2-yl)-2-methylbenzene
CID 116500334
2-fluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 115923356
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 130797873
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-one
CID 115807583
1-(4-bromo-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044722
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171227402

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine (CID 105044354) is 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine is COCCC(C)C(N)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
The InChIKey is WVAAJVWTNIZAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9-5-4-6-11(12(9)14)13(15)10(2)7-8-16-3/h4-6,10,13H,7-8,15H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).