1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine

C14H22FNO — CID 105090111

IUPAC1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1ccccc1F)NC
InChIInChI=1S/C14H22FNO/c1-3-9-17-10-8-13(16-2)11-12-6-4-5-7-14(12)15/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyRAMREWHUWPWRBB-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.77
Rot. Bonds8

About 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine

1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine (PubChem CID 105090111) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
PubChem CID105090111
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1ccccc1F)NC
InChIInChI=1S/C14H22FNO/c1-3-9-17-10-8-13(16-2)11-12-6-4-5-7-14(12)15/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyRAMREWHUWPWRBB-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-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-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
CID 106456725
N-methyl-1-phenyl-4-propoxybutan-2-amine
CID 105084507
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 61392693
1-(5-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148276
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105342708
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
CID 62607286

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine (CID 105090111) is 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine is CCCOCCC(Cc1ccccc1F)NC.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine?
The InChIKey is RAMREWHUWPWRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-9-17-10-8-13(16-2)11-12-6-4-5-7-14(12)15/h4-7,13,16H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine?
1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine is sourced from PubChem (CID 105090111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).