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

C13H20FNO2 — CID 62620543

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-13(15,6-7-16-2)9-10-4-5-12(17-3)11(14)8-10/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyWBHKVXCRKMVASY-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds6

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

1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine (PubChem CID 62620543) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
PubChem CID62620543
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-13(15,6-7-16-2)9-10-4-5-12(17-3)11(14)8-10/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyWBHKVXCRKMVASY-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-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-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-amino-4-(3-fluoro-4-methoxyphenyl)-2-methylbutanenitrile
CID 82080227
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64572108
4-(3-fluoro-4-methoxyphenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034908
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-fluoro-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 112566865
1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
CID 62621665
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine (CID 62620543) is 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine is COCCC(C)(N)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine?
The InChIKey is WBHKVXCRKMVASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(15,6-7-16-2)9-10-4-5-12(17-3)11(14)8-10/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine is sourced from PubChem (CID 62620543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).