[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride

C11H14ClF4NO2 — CID 164885128

IUPAC[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
SMILESCOc1ccc(CN)cc1OCC(F)(F)C(F)F.Cl
InChIInChI=1S/C11H13F4NO2.ClH/c1-17-8-3-2-7(5-16)4-9(8)18-6-11(14,15)10(12)13;/h2-4,10H,5-6,16H2,1H3;1H
InChIKeyQBTFBQZCJZGULR-UHFFFAOYSA-N
MW303.68 g/mol
LogP2.85
Rot. Bonds6

About [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride

[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride (PubChem CID 164885128) has the molecular formula C11H14ClF4NO2 and a molecular weight of 303.68 g/mol. Its IUPAC name is [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
PubChem CID164885128
Molecular FormulaC11H14ClF4NO2
Molecular Weight303.68 g/mol
Exact Mass303.06
IUPAC Name[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
SMILESCOc1ccc(CN)cc1OCC(F)(F)C(F)F.Cl
InChIInChI=1S/C11H13F4NO2.ClH/c1-17-8-3-2-7(5-16)4-9(8)18-6-11(14,15)10(12)13;/h2-4,10H,5-6,16H2,1H3;1H
InChIKeyQBTFBQZCJZGULR-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine
CID 164885130
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 129160857
3-[5-(aminomethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629784
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 29004952
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513361
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride (CID 164885128) is [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride is COc1ccc(CN)cc1OCC(F)(F)C(F)F.Cl.
What is the InChIKey of [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
The InChIKey is QBTFBQZCJZGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO2.ClH/c1-17-8-3-2-7(5-16)4-9(8)18-6-11(14,15)10(12)13;/h2-4,10H,5-6,16H2,1H3;1H.
What are the key properties of [4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride?
[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride has a molecular weight of 303.68 g/mol, XLogP of 2.85, 6 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-tetrafluoropropoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 164885128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).