[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine

C17H19F2NO — CID 115492195

IUPAC[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine
SMILESCCCCc1ccc(Oc2c(F)cc(CN)cc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-2-3-4-12-5-7-14(8-6-12)21-17-15(18)9-13(11-20)10-16(17)19/h5-10H,2-4,11,20H2,1H3
InChIKeyCXZCTKQOFCVNIS-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.56
Rot. Bonds6

About [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine

[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine (PubChem CID 115492195) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine
PubChem CID115492195
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine
SMILESCCCCc1ccc(Oc2c(F)cc(CN)cc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-2-3-4-12-5-7-14(8-6-12)21-17-15(18)9-13(11-20)10-16(17)19/h5-10H,2-4,11,20H2,1H3
InChIKeyCXZCTKQOFCVNIS-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine 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

[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
4-bromo-2-(4-butylphenoxy)-5-fluoroaniline
CID 116736553
2-amino-2-[2-[4-(4-butylphenoxy)-3-fluorophenyl]ethyl]propane-1,3-diol
CID 102224577
O-(4-butylphenyl)hydroxylamine
CID 176620577
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
CID 63077891
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
2-(4-butylphenoxy)-4-chloroaniline
CID 115492256

Frequently Asked Questions

What is the IUPAC name of [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine (CID 115492195) is [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine is CCCCc1ccc(Oc2c(F)cc(CN)cc2F)cc1.
What is the InChIKey of [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine?
The InChIKey is CXZCTKQOFCVNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-3-4-12-5-7-14(8-6-12)21-17-15(18)9-13(11-20)10-16(17)19/h5-10H,2-4,11,20H2,1H3.
What are the key properties of [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine?
[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine has a molecular weight of 291.34 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 115492195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).