1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine

C18H22FNO — CID 115492896

IUPAC1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCCCCc1ccc(Oc2ccc(F)cc2CNC)cc1
InChIInChI=1S/C18H22FNO/c1-3-4-5-14-6-9-17(10-7-14)21-18-11-8-16(19)12-15(18)13-20-2/h6-12,20H,3-5,13H2,1-2H3
InChIKeyPPZJJHUDPFDKGL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.68
Rot. Bonds7

About 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 115492896) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID115492896
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCCCCc1ccc(Oc2ccc(F)cc2CNC)cc1
InChIInChI=1S/C18H22FNO/c1-3-4-5-14-6-9-17(10-7-14)21-18-11-8-16(19)12-15(18)13-20-2/h6-12,20H,3-5,13H2,1-2H3
InChIKeyPPZJJHUDPFDKGL-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine 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-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
CID 107695266
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 115492896) is 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine is CCCCc1ccc(Oc2ccc(F)cc2CNC)cc1.
What is the InChIKey of 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is PPZJJHUDPFDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-4-5-14-6-9-17(10-7-14)21-18-11-8-16(19)12-15(18)13-20-2/h6-12,20H,3-5,13H2,1-2H3.
What are the key properties of 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 115492896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).