N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine

C17H17F2NO — CID 63379238

IUPACN-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccccc1CNCc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO/c1-2-9-21-17-6-4-3-5-13(17)11-20-12-14-10-15(18)7-8-16(14)19/h2-8,10,20H,1,9,11-12H2
InChIKeyKDBSLOFAMZLGLK-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.82
Rot. Bonds7

About N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine

N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine (PubChem CID 63379238) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
PubChem CID63379238
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccccc1CNCc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO/c1-2-9-21-17-6-4-3-5-13(17)11-20-12-14-10-15(18)7-8-16(14)19/h2-8,10,20H,1,9,11-12H2
InChIKeyKDBSLOFAMZLGLK-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 60962267
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
4-fluoro-3-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 114838877
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-bromo-5-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107633184
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine (CID 63379238) is N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine is C=CCOc1ccccc1CNCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
The InChIKey is KDBSLOFAMZLGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-2-9-21-17-6-4-3-5-13(17)11-20-12-14-10-15(18)7-8-16(14)19/h2-8,10,20H,1,9,11-12H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine?
N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine has a molecular weight of 289.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 63379238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).