[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine

C11H12F5NO2 — CID 164885130

IUPAC[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F5NO2/c1-18-8-3-2-7(5-17)4-9(8)19-6-10(12,13)11(14,15)16/h2-4H,5-6,17H2,1H3
InChIKeyBHVGKSZJGFKRJV-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.73
Rot. Bonds5

About [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine

[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine (PubChem CID 164885130) has the molecular formula C11H12F5NO2 and a molecular weight of 285.21 g/mol. Its IUPAC name is [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine
PubChem CID164885130
Molecular FormulaC11H12F5NO2
Molecular Weight285.21 g/mol
Exact Mass285.08
IUPAC Name[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F5NO2/c1-18-8-3-2-7(5-17)4-9(8)19-6-10(12,13)11(14,15)16/h2-4H,5-6,17H2,1H3
InChIKeyBHVGKSZJGFKRJV-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]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-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 164885128
3-[5-(aminomethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629784
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine
CID 60879625

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine (CID 164885130) is [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine is COc1ccc(CN)cc1OCC(F)(F)C(F)(F)F.
What is the InChIKey of [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine?
The InChIKey is BHVGKSZJGFKRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO2/c1-18-8-3-2-7(5-17)4-9(8)19-6-10(12,13)11(14,15)16/h2-4H,5-6,17H2,1H3.
What are the key properties of [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine?
[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine has a molecular weight of 285.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine is sourced from PubChem (CID 164885130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).