1-(4-fluorophenyl)-3-methoxybutan-2-amine

C11H16FNO — CID 79616204

IUPAC1-(4-fluorophenyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(14-2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3
InChIKeyZHFGUYROVMLSCK-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methoxybutan-2-amine

1-(4-fluorophenyl)-3-methoxybutan-2-amine (PubChem CID 79616204) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methoxybutan-2-amine
PubChem CID79616204
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(4-fluorophenyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(14-2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3
InChIKeyZHFGUYROVMLSCK-UHFFFAOYSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3-methoxybutan-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-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
CID 114282016
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958965
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methoxybutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-methoxybutan-2-amine (CID 79616204) is 1-(4-fluorophenyl)-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methoxybutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-methoxybutan-2-amine is COC(C)C(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methoxybutan-2-amine?
The InChIKey is ZHFGUYROVMLSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(14-2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methoxybutan-2-amine?
1-(4-fluorophenyl)-3-methoxybutan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methoxybutan-2-amine is sourced from PubChem (CID 79616204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).